131109-75-6|1-(3-Chloropyridin-2-yl)ethanone| Ambeed

Structure of 131109-75-6

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size	Price	VIP Price	US Stock	Global Stock	In Stock
{[ item.pr_size ]}		Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

{[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

Quality Control of [ 131109-75-6 ] Purity: 95% SDS Specification

COA

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

NMR

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

CNMR

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

HPLC

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

LC-MS

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

1-2 Day Shipping
High Quality
Technical Support

Product Details of [ 131109-75-6 ]

CAS No. :	131109-75-6
Formula :	C₇H₆ClNO
M.W :	155.58
SMILES Code :	CC(C1=NC=CC=C1Cl)=O
MDL No. :	MFCD11656222
InChI Key :	GMXZSVFWDQBSFR-UHFFFAOYSA-N
Pubchem ID :	14644972

Safety of [ 131109-75-6 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Computational Chemistry of [ 131109-75-6 ] Show Less

Physicochemical Properties

Num. heavy atoms	10
Num. arom. heavy atoms	6
Fraction Csp3	0.14
Num. rotatable bonds	1
Num. H-bond acceptors	2.0
Num. H-bond donors	0.0
Molar Refractivity	39.44
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	29.96 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	1.66
Log P_o/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry	1.5
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	1.94
Log P_o/w (MLOGP)? MLOGP: Topological method implemented from Moriguchi I. et al. 1992 Chem. Pharm. Bull. Moriguchi I. et al. 1994 Chem. Pharm. Bull. Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.	0.73
Log P_o/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	2.29
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	1.62

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-2.13
Solubility	1.16 mg/ml ; 0.00745 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-1.74
Solubility	2.85 mg/ml ; 0.0183 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Very soluble
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	-2.96
Solubility	0.17 mg/ml ; 0.00109 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble

Pharmacokinetics

GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg	High
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg	Yes
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) and tested on 415 molecules (test set) 10-fold CV: ACC=0.72 / AUC=0.77 External: ACC=0.88 / AUC=0.94	No
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.83 / AUC=0.90 External: ACC=0.84 / AUC=0.91	Yes
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.80 / AUC=0.86 External: ACC=0.80 / AUC=0.87	No
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) and tested on 2075 molecules (test set) 10-fold CV: ACC=0.78 / AUC=0.85 External: ACC=0.71 / AUC=0.81	No
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) and tested on 1068 molecules (test set) 10-fold CV: ACC=0.79 / AUC=0.85 External: ACC=0.81 / AUC=0.87	No
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) and tested on 2579 molecules (test set) 10-fold CV: ACC=0.77 / AUC=0.85 External: ACC=0.78 / AUC=0.86	No
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from Potts RO and Guy RH. 1992 Pharm. Res.	-6.18 cm/s

Druglikeness

Lipinski? Lipinski (Pfizer) filter: implemented from Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev. MW ≤ 500 MLOGP ≤ 4.15 N or O ≤ 10 NH or OH ≤ 5	0.0
Ghose? Ghose filter: implemented from Ghose AK. et al. 1999 J. Comb. Chem. 160 ≤ MW ≤ 480 -0.4 ≤ WLOGP ≤ 5.6 40 ≤ MR ≤ 130 20 ≤ atoms ≤ 70	None
Veber? Veber (GSK) filter: implemented from Veber DF. et al. 2002 J. Med. Chem. Rotatable bonds ≤ 10 TPSA ≤ 140	0.0
Egan? Egan (Pharmacia) filter: implemented from Egan WJ. et al. 2000 J. Med. Chem. WLOGP ≤ 5.88 TPSA ≤ 131.6	0.0
Muegge? Muegge (Bayer) filter: implemented from Muegge I. et al. 2001 J. Med. Chem. 200 ≤ MW ≤ 600 -2 ≤ XLOGP ≤ 5 TPSA ≤ 150 Num. rings ≤ 7 Num. carbon > 4 Num. heteroatoms > 1 Num. rotatable bonds ≤ 15 H-bond acc. ≤ 10 H-bond don. ≤ 5	1.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.55

Medicinal Chemistry

PAINS? Pan Assay Interference Structures: implemented from Baell JB. & Holloway GA. 2010 J. Med. Chem.	0.0 alert
Brenk? Structural Alert: implemented from Brenk R. et al. 2008 ChemMedChem	0.0 alert: heavy_metal
Leadlikeness? Leadlikeness: implemented from Teague SJ. 1999 Angew. Chem. Int. Ed. 250 ≤ MW ≤ 350 XLOGP ≤ 3.5 Num. rotatable bonds ≤ 7	No; 1 violation:MW<1.0
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties, trained on 12'782'590 molecules and tested on 40 external molecules (r² = 0.94)	1.33

Application In Synthesis of [ 131109-75-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 131109-75-6 ]
Downstream synthetic route of [ 131109-75-6 ]

[ 131109-75-6 ] Synthesis Path-Upstream 1~2

1
[ 917-64-6 ]
[ 38180-46-0 ]
[ 131109-75-6 ]

References: [1] Zeitschrift fuer Chemie (Stuttgart, Germany), 1990, vol. 30, # 7, p. 245 - 246.
[2] Patent: WO2004/55003, 2004, A1, . Location in patent: Page 68.
[3] Patent: WO2005/23807, 2005, A2, . Location in patent: Page/Page column 57.
[4] Patent: US2005/215575, 2005, A1, . Location in patent: Page/Page column 19.

2
[ 75-16-1 ]
[ 38180-46-0 ]
[ 131109-75-6 ]

Yield	Reaction Conditions	Operation in experiment
58 g	Stage #1: for 2 h; Cooling with ice Stage #2: With hydrogenchloride; water In tetrahydrofuran for 0.5 h; Cooling with ice	In a mixture of 54 g of 3-chloropyridine-2-carbonitrile and 300 mL of THF, 500 g of 1 M methylmagnesium bromide THF solution was added dropwise under ice cooling. The reaction mixture was stirred for 2 hours under ice cooling. The reaction mixture obtained was added to 2N hydrochloric acid under ice cooling, and the mixture was stirred for 30 minutes. A 1N sodium hydroxide aqueous solution was added to the mixture, and the mixture was adjusted to pH 8, followed by extraction with ethyl acetate. After washing the organic layer with saturated brine, the organic layer was dried with anhydrous sodium sulfate. The organic layer was concentrated under reduced pressure to obtain 58 g of an intermediate (12-1)
58 g	Stage #1: for 2 h; Cooling with ice Stage #2: With hydrogenchloride; water In tetrahydrofuran for 0.5 h; Cooling with ice	Preparation Example 2(1) (0639) To 3-chloropyridine-2-carbonitrile 54 g, and THF 300 mL, 1M THF solution of methyl magnesium bromide 500 mg was added dropwise under ice-cooling. The obtained reaction mixtures were stirred under ice-cooling for 2 hours. The obtained reaction mixtures were added to 2N hydrochloric acid under ice-cooling, and stirred for 30 minutes. To the mixtures was added 1N sodium hydroxide solution to adjust to pH 8, and the mixtures were extracted with ethyl acetate. The obtained organic layer was washed with brine and dried over anhydrous sodium sulfate. The organic layer was concentrated to give the Intermediate compound (4-1) 58 g. ¹H-NMR (CDCl₃) δ: 8.55 (1H, dd), 7.80 (1H, dd), 7.38 (1H, dd), 2.70 (3H, s).
58 g	Stage #1: for 2 h; Cooling with ice Stage #2: With hydrogenchloride In tetrahydrofuran; water for 0.5 h; Cooling with ice	Preparation Example 12(1) To a mixture of 3-chloropyridine-2-carbonitrile 54 g and THF 300 mL was added dropwise 1M methylmagnesium bromide solution in THF 500 g under ice-cooling. The reaction mixtures were stirred under ice-cooling for 2 hours. To 2N hydrochloric acid was added the resulting reaction mixtures under ice-cooling, and the mixtures were stirred for 30 minutes. The mixtures were made pH 8 with a 1N aqueous sodium hydroxide solution, and then the mixtures were extracted with ethyl acetate. The organic layers were washed with saturated brine, and then the organic layers were dried over anhydrous sodium sulfate. The organic layers were concentrated under reduced pressure to give an intermediate compound (12-1) 58 g.¹H-NMR (CDCl₃) δ: 8.55 (1H, dd), 7.80 (1H, dd), 7.38 (1H, dd), 2.70 (3H, s).

58 g

Stage #1: for 2 h; Cooling with ice
Stage #2: for 0.5 h;

To a mixture of 3-chloropyridine-2-carbonitrile (54 g) and THF (300 mL) was added dropwise a 1 M solution of methylmagnesium bromide in THF (500 mL) under ice-cooling. The reaction mixture was stirred under ice-cooling for 2 hours. The resulting reaction mixture was added to 2N hydrochloric acid under ice-cooling, and the mixture was stirred for 30 minutes. To the mixture was added a 1N aqueous solution of sodium hydroxide so that the pH of the solution was set to be 8, and then the mixture was extracted with ethyl acetate. The resulting organic layers were washed with saturated brine, and then the organic layers were dried over anhydrous sodium sulfate. The organic layers were concentrated under reduced pressure to give the Intermediate compound 7 represented by the following formula (58 g). Intermediate compound 7: ¹H-NMR (CDCl₃) δ: 8.55 (1H, dd), 7.80 (1H, dd), 7.38 (1H, dd), 2.70 (3H, s).

References: [1] Patent: JP2017/36339, 2017, A, . Location in patent: Paragraph 0178.
[2] Patent: US2017/295787, 2017, A1, . Location in patent: Paragraph 0639.
[3] Patent: US2017/305896, 2017, A1, . Location in patent: Paragraph 0621.
[4] Patent: US2019/40038, 2019, A1, . Location in patent: Paragraph 1261-1262.

[ 131109-75-6 ] Synthesis Path-Downstream 1~35

1
[ 917-64-6 ]
[ 38180-46-0 ]
[ 131109-75-6 ]

Yield	Reaction Conditions	Operation in experiment
	In tetrahydrofuran; diethyl ether; at 0℃; for 2h;	Dissolve 3-CHLORO-2-CYANOPYRIDINE (10.0 g, 0.072 mol, Chem. Pharm. Bull. (1985) 33: 565-571) in anhydrous THF (200 mL) under N2 atmosphere and cool in an ice bath. Add drop wise 3.0 M MEMGI in diethyl ether (48 ml, 0.14 mol) to the reaction mixture and stir in an ice bath for 2 hours. Pour the reaction mixture over ice cold water, acidify the mixture with 2.0 N aq. HCI to pH 2 to 3. Extract the reaction mixture with EtOAc (3 x 100 mL) and dry over anhydrous MGS04. Filter, concentrate under vacuum and then filter through a pad of silica gel using 20% ethyl acetate/hexane as eluent. Removal of solvent under reduced pressure gives pure 2-acetyl-3-chloropyridine as oil
		A. [7- (3-CHLORO-PYRIDIN-2-VL)-2-METHOXYMETHVL-PYRID[2, 3-D] PYRIMIDIN-4-YL]- (L-METHVL- 123*4-TETRAHYDRO-QUINOLIN-7-YL .-AMINE (COMPOUND 1; 1. 2-ACETYL-3-CHLOROPYRIDINE; Dissolve 3-chloro-2-cyanopyridine (10.0 g, 0.072 mol, Chem. Pharm. Bull. (1985) 33: 565-571) in anhydrous THF (200 mL) under N2 atmosphere and cool in an ice bath. Add drop wise 3.0 M MEMGI in diethyl ether (48 ml, 0.14 mol) to the reaction mixture and stir in an ice bath for 2 hours. Pour the reaction mixture over ice cold water, acidify the mixture with 2.0 N aq. HCl to pH 2 to 3. Extract the reaction mixture with EtOAc (3 x 100 mL) and dry over anhydrous MGS04. Filter, concentrate under vacuum and then filter through a pad of silica gel using 20% ethyl acetate/hexane as eluent. Removal of solvent under reduced pressure gives pure 2-acetyl-3-chloropyridine as oil.
		1. 2-Acetyl-3-chloropyridine Dissolve 3-chloro-2-cyanopyridine (10.0 g, 0.072 mol, Chem. Pharm. Bull. (1985) 33:565-571) in anhydrous THF (200 mL) under N2 atmosphere and cool in an ice bath. Add drop wise 3.0 M MeMgI in diethyl ether (48 ml, 0.14 mol) to the reaction mixture and stir in an ice bath for 2 hours. Pour the reaction mixture over ice cold water, acidify the mixture with 2.0 N aq. HCl to pH 2 to 3. Extract the reaction mixture with EtOAc (3*100 mL) and dry over anhydrous MgSO4. Filter, concentrate under vacuum and then filter through a pad of silica gel using 20% ethyl acetate/hexane as eluent. Removal of solvent under reduced pressure gives pure 2-acetyl-3-chloropyridine as oil.

References: [1]Zeitschrift fur Chemie,1990,vol. 30,p. 245 - 246.
[2]Patent: WO2004/55003,2004,A1 .Location in patent: Page 68.
[3]Patent: WO2005/23807,2005,A2 .Location in patent: Page/Page column 57.
[4]Patent: US2005/215575,2005,A1 .Location in patent: Page/Page column 19.

2
[ 75-15-0 ]
[ 131109-75-6 ]
[ 74-88-4 ]
[ 131109-78-9 ]

References: [1]Zeitschrift fur Chemie,1990,vol. 30,p. 245 - 246.

3
[ 131109-75-6 ]
[ 4637-24-5 ]
[ 1055922-41-2 ]

Yield	Reaction Conditions	Operation in experiment
	at 105℃; for 20h;	Heat <strong>[131109-75-6]2-acetyl-3-chloropyridine</strong> (0.77 g, 5.0 mmol) with N, N-dimethylformamide dimetylacetal (3.0 g) at 105C for 20 hours. Concentrate under reduced pressure to give 1- (3- chloro-pyridin-2-yl)-3-dimethylaminopropenone as oil
	at 105℃; for 20h;	2. 1-(3-Chloro-pyridin-2-yl)-3-dimethylaminopropenone; Heat <strong>[131109-75-6]2-acetyl-3-chloropyridine</strong> (0.77 g, 5.0 mmol) with N, N-DIMETHYLFORMAMIDE dimetylacetal (3.0 g) at 105C for 20 hours. Concentrate under reduced pressure to give 1- (3-chloro-pyridin-2-yl)-3-dimethylaminopropenone as oil.
	at 105℃; for 20h;	2. 1-(3-Chloro-pyridin-2-yl)-3-dimethylaminopropenone Heat <strong>[131109-75-6]2-acetyl-3-chloropyridine</strong> (0.77 g, 5.0 mmol) with N,N-dimethylformamide dimetylacetal (3.0 g) at 105 C. for 20 hours. Concentrate under reduced pressure to give 1-(3-chloro-pyridin-2-yl)-3-dimethylaminopropenone as oil.

References: [1]Patent: WO2004/55003,2004,A1 .Location in patent: Page 68.
[2]Patent: WO2005/23807,2005,A2 .Location in patent: Page/Page column 57.
[3]Patent: US2005/215575,2005,A1 .Location in patent: Page/Page column 19.

4
[ 884004-48-2 ]
[ 131109-75-6 ]
5-chloro-2-(3-chloropyridin-2-yl)-[1,8]naphthyridine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium tert-butylate; In tetrahydrofuran; at -20 - 10℃; for 2h;	Dissolve 2-AMINO-4-CHLORONICOTINALDEHYDE (312 mg, 2.0 mmol) and 2-acetyl-3- chloropyridine (310 mg, 2.0 mmol) in anhydrous THF (5.0 mL) and cool it to-20C under N2 atmosphere. Add in portion t-BuOK (448 mg, 4.0 mmol) to the reaction mixture and stir the mixture at 10C for 2 hours. Concentrate the reaction mixture under vacuum, dilute the residue with water (10 mL), filter the solid, wash the solid with water and dry under high vacuum to afford the title product as a yellow solid.

References: [1]Patent: WO2005/7652,2005,A2 .Location in patent: Page/Page column 41; 87.

5
[ 131109-75-6 ]
[ 876392-01-7 ]

Yield	Reaction Conditions	Operation in experiment
98%	With hydrogen bromide; bromine; In acetic acid; at 20℃; for 16h;	To a solution of <strong>[131109-75-6]1-(3-chloro-2-pyridinyl)ethanone</strong> (3.3 g, 21.2 mmol), 25% hydrobromic acid in acetic acid (15 ml) and acetic acid (30 ml) was added bromine (1.2 ml, 23.3 mmol) dropwise at room temperature and the mixture was stirred at room temperature for 16 hours. The mixture was diluted with diethylether (50ml), then the formed precipitate was filtrated and washed with diethylether to furnish the 2-bromo-<strong>[131109-75-6]1-(3-chloro-2-pyridinyl)ethanone</strong> hydrobromide (6.5 g, 98 %).H-NMR (DMSO-cfe); 5 4.97 (2H, s), 7.69-7.74 (1H, m), 8.12-8.17 (1H, m), 8.68-8.69 (1H, m). Pale yellow solid. MS (ESI) m/z 235 (M + H)+.
1.4 g	With hydrogen bromide; bromine; acetic acid; In water; at 85℃; for 1h;	1-(3-chloro-2-yl)ethanone 1.21 g,25% hydrogen bromide-acetic acid solution 3ml, acetic acid 5ml and water 2.5ml, bromine was dropped at 85 C to a mixture, the mixture was stirred for 1 hour at 85 C.The reaction mixture was allowed to cool to room temperature, and the precipitated solid was filtered.The obtained solid was washed with tert- butyl methyl ether and dried to give 2-bromo-1- (3-chloropyridin-2-yl) - ethanone hydrobromide 1.40 g.
1.40 g	With hydrogen bromide; bromine; acetic acid; In water; at 85℃; for 1h;	1.21 g of <strong>[131109-75-6]1-(3-chloropyridin-2-yl)ethanone</strong>, 3 ml of 25% hydrogen bromide-acetic acid solution, 0.48 ml of bromine was added dropwise at 85 C. to a mixture of 5 ml of acetic acid and 2.5 ml of water, followed by stirring at 85 C. for 1 hour.The reaction mixture was allowed to cool to room temperature and the precipitated solid was filtered. The obtained solid was washed with tert-butyl methyl ether and dried to obtain 1.40 g of 2-bromo-<strong>[131109-75-6]1-(3-chloropyridin-2-yl)ethanone</strong> hydrobromide.

References: [1]Patent: WO2006/16218,2006,A1 .Location in patent: Page/Page column 31-32.
[2]Patent: JP2015/117195,2015,A .Location in patent: Paragraph 0083.
[3]Patent: JP2015/117194,2015,A .Location in patent: Paragraph 0077.

6
[ 131109-75-6 ]
C₇H₆ClN₃ [ No CAS ]

References: [1]Advanced Synthesis and Catalysis,2016,vol. 358,p. 958 - 964.

7
[ 131109-75-6 ]
C₇H₈ClN₃ [ No CAS ]

References: [1]Advanced Synthesis and Catalysis,2016,vol. 358,p. 958 - 964.

8
[ 131109-75-6 ]
3-chloro-2-(1-phenylvinyl)pyridine [ No CAS ]

References: [1]Advanced Synthesis and Catalysis,2016,vol. 358,p. 958 - 964.

9
[ 131109-75-6 ]
2-(3-ethylsulfanylpyridin-2-yl)-6-trifluoromethylimidazo[1,2-a]pyridine [ No CAS ]

References: [1]Patent: JP2015/117195,2015,A .
[2]Patent: JP2015/117194,2015,A .

10
[ 131109-75-6 ]
2-(3-ethylsulfonylpyridine-2-yl)-6-trifluoromethylimidazo[1,2-a]pyridine [ No CAS ]

References: [1]Patent: JP2015/117195,2015,A .
[2]Patent: JP2015/117194,2015,A .

11
[ 131109-75-6 ]
3-chloro-2-(3-ethylsulfonylpyridine 2-yl)-6-trifluoromethylimidazo[1,2-a]pyridine [ No CAS ]

References: [1]Patent: JP2015/117195,2015,A .
[2]Patent: JP2015/117194,2015,A .

12
[ 131109-75-6 ]
2-(3-chloropyridine-2-yl)-6-trifluoromethylimidazo[1,2-a]pyridine [ No CAS ]

References: [1]Patent: JP2015/117195,2015,A .
[2]Patent: JP2015/117194,2015,A .

13
[ 75-16-1 ]
[ 38180-46-0 ]
[ 131109-75-6 ]

Yield	Reaction Conditions	Operation in experiment
58 g		In a mixture of 54 g of 3-chloropyridine-2-carbonitrile and 300 mL of THF, 500 g of 1 M methylmagnesium bromide THF solution was added dropwise under ice cooling. The reaction mixture was stirred for 2 hours under ice cooling. The reaction mixture obtained was added to 2N hydrochloric acid under ice cooling, and the mixture was stirred for 30 minutes. A 1N sodium hydroxide aqueous solution was added to the mixture, and the mixture was adjusted to pH 8, followed by extraction with ethyl acetate. After washing the organic layer with saturated brine, the organic layer was dried with anhydrous sodium sulfate. The organic layer was concentrated under reduced pressure to obtain 58 g of an intermediate (12-1)
58 g		Preparation Example 2(1) (0639) To 3-chloropyridine-2-carbonitrile 54 g, and THF 300 mL, 1M THF solution of methyl magnesium bromide 500 mg was added dropwise under ice-cooling. The obtained reaction mixtures were stirred under ice-cooling for 2 hours. The obtained reaction mixtures were added to 2N hydrochloric acid under ice-cooling, and stirred for 30 minutes. To the mixtures was added 1N sodium hydroxide solution to adjust to pH 8, and the mixtures were extracted with ethyl acetate. The obtained organic layer was washed with brine and dried over anhydrous sodium sulfate. The organic layer was concentrated to give the Intermediate compound (4-1) 58 g. 1H-NMR (CDCl3) δ: 8.55 (1H, dd), 7.80 (1H, dd), 7.38 (1H, dd), 2.70 (3H, s).
58 g		Preparation Example 12(1) To a mixture of 3-chloropyridine-2-carbonitrile 54 g and THF 300 mL was added dropwise 1M methylmagnesium bromide solution in THF 500 g under ice-cooling. The reaction mixtures were stirred under ice-cooling for 2 hours. To 2N hydrochloric acid was added the resulting reaction mixtures under ice-cooling, and the mixtures were stirred for 30 minutes. The mixtures were made pH 8 with a 1N aqueous sodium hydroxide solution, and then the mixtures were extracted with ethyl acetate. The organic layers were washed with saturated brine, and then the organic layers were dried over anhydrous sodium sulfate. The organic layers were concentrated under reduced pressure to give an intermediate compound (12-1) 58 g.1H-NMR (CDCl3) δ: 8.55 (1H, dd), 7.80 (1H, dd), 7.38 (1H, dd), 2.70 (3H, s).

58 g		To a mixture of 3-chloropyridine-2-carbonitrile (54 g) and THF (300 mL) was added dropwise a 1 M solution of methylmagnesium bromide in THF (500 mL) under ice-cooling. The reaction mixture was stirred under ice-cooling for 2 hours. The resulting reaction mixture was added to 2N hydrochloric acid under ice-cooling, and the mixture was stirred for 30 minutes. To the mixture was added a 1N aqueous solution of sodium hydroxide so that the pH of the solution was set to be 8, and then the mixture was extracted with ethyl acetate. The resulting organic layers were washed with saturated brine, and then the organic layers were dried over anhydrous sodium sulfate. The organic layers were concentrated under reduced pressure to give the Intermediate compound 7 represented by the following formula (58 g). Intermediate compound 7: 1H-NMR (CDCl3) δ: 8.55 (1H, dd), 7.80 (1H, dd), 7.38 (1H, dd), 2.70 (3H, s).
58 g		To a mixture of 3-chloropyridine-2-carbonitrile 54 g and THF 300 mL was added dropwise 1 M solution of methyl magnesium bromide in THF 500 mL under ice- cooling. The reaction mixture was stirred under ice-cooling for 2 hours. The resulting reaction mixture was added 2N hydrochloric acid under ice-cooling, and the mixture was stirred for 30 minutes. The mixture was made pH 8 by adding iN aqueous sodium hydroxide solution, and the mixture was then extracted with ethyl acetate. The resulting organic layers were washed with saturated brine, and the organic layers were dried over anhydrous sodium sulfate. The organic layers were concentrated under reduced pressure to give an intermediate compound 1 58 g. Intermediate compound 1: ‘H-NMR (CDC13) ö:8.55 (1H, dd), 7.80 (1H, dd), 7.38 (1H, dd), 2.70 (3H, s).
58 g		10661] To a mixture of 3-chloropyridine-2-carbonitrile 54 g and THF 300 mL, 1M methylmagnesium bromide in THF solution 500 mL was added dropwise under ice-cooling. The reaction mixture was stirred under ice-cooling for 2 hours. The obtained mixture was added to 2N hydrochloric acid under ice-cooling and stirred for 30 minutes. To the mixture was added iN sodium hydroxide solution, and then the mixture was adjusted to pH 8 and extracted with ethyl acetate. The resulting organic layer was washed with saturated brine, and then the organic layer was dried over anhydrous sodium’ sulfate. The organic layer was concentrated under reduced pressure to give the intermediate compound 1 shown below 58 g.j0662] The intermediate compound 1: ‘H-NMR (CDC13) ö: 8.55 (1H, dd), 7.80 (1H, dd), 7.38 (1H, dd), 2.70 (3H, s).

References: [1]Patent: JP2017/36339,2017,A .Location in patent: Paragraph 0178.
[2]Patent: US2017/295787,2017,A1 .Location in patent: Paragraph 0639.
[3]Patent: US2017/305896,2017,A1 .Location in patent: Paragraph 0621.
[4]Patent: US2019/40038,2019,A1 .Location in patent: Paragraph 1261-1262.
[5]Patent: US2019/127328,2019,A1 .Location in patent: Paragraph 0587; 0588.
[6]Patent: US2019/106411,2019,A1 .Location in patent: Paragraph 0661; 0662.

14
[ 131109-75-6 ]
C₁₁H₁₁N₃OS [ No CAS ]

References: [1]Patent: JP2017/36339,2017,A .
[2]Patent: US2017/305896,2017,A1 .

15
[ 131109-75-6 ]
C₁₁H₁₃NO₃S [ No CAS ]

References: [1]Patent: JP2017/36339,2017,A .
[2]Patent: US2017/305896,2017,A1 .

16
[ 131109-75-6 ]
C₁₁H₁₄N₂O₂S [ No CAS ]

References: [1]Patent: JP2017/36339,2017,A .
[2]Patent: US2017/305896,2017,A1 .

17
[ 131109-75-6 ]
C₁₂H₁₆N₂OS [ No CAS ]

References: [1]Patent: JP2017/36339,2017,A .
[2]Patent: US2017/305896,2017,A1 .

18
[ 131109-75-6 ]
C₁₅H₁₃F₆N₃OS [ No CAS ]

References: [1]Patent: JP2017/36339,2017,A .
[2]Patent: US2017/305896,2017,A1 .

19
[ 131109-75-6 ]
C₁₅H₁₃F₆N₃O₂S [ No CAS ]
C₁₅H₁₃F₆N₃O₃S [ No CAS ]

References: [1]Patent: JP2017/36339,2017,A .
[2]Patent: US2017/305896,2017,A1 .

20
[ 131109-75-6 ]
[ 75-08-1 ]
1-(3-ethylsulfanyl-2-pyridyl)ethanone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20℃; for 3h;Cooling with ice;	General procedure: To a mixture of 1.4 g of the intermediate (6-3) and 22 mL of DMF, 290 mg of sodium hydride (60% oil) and 510 μL of ethanethiol were sequentially added under ice-cooling. After stirring at room temperature for 3 hours, a saturated aqueous sodium hydrogen carbonate solution was added to the reaction mixture. The reaction mixture was extracted with ethyl acetate. The organic layer was washed with water and saturated brine, and the organic layer was dried with anhydrous sodium sulfate. The organic layer was concentrated under reduced pressure to obtain 1.7 g of an intermediate (6-4). Intermediate (12-1) was used instead of intermediate (6-3)According to the method described in Production Example 6 (4)An intermediate (12-2)
160 mg	With sodium hydride; In N,N-dimethyl-formamide; mineral oil; for 1h;Cooling with ice;	Preparation Example 2(2) (0640) To the suspension of sodium hydride (60%, oily) 57 g and DMF 560 mL, ethanethiol 100 mL was added dropwise under ice-cooling. To the mixtures, a mixed solution of the Intermediate compound (4-1) 204 g and DMF 190 mL were added dropwise under ice-cooling. The obtained reaction mixtures were stirred under ice-cooling for 1 hour, and thereto was added iced water. The precipitated solid was filtered and washed with water. The obtained solid was dissolved in ethyl acetate, and the solution was washed with brine, and then the organic layer was dried with sodium sulfate. After the organic layer was concentrated under reduced pressure, the obtained solid was washed with hexane to give the Intermediate compound (4-2) 160 g. 1H-NMR (CDCl3) δ: 8.40 (1H, dd), 7.69 (1H, dd), 7.37 (1H, dd), 2.92 (2H, q), 2.72 (3H, s), 1.40 (3H, t).
160 g	With sodium hydride; In N,N-dimethyl-formamide; mineral oil; for 1h;Cooling with ice;	Preparation Example 12(2) To a suspension of sodium hydride (oily, 60%) 57 g and DMF 560 mL was added dropwise ethanethiol 100 mL under ice-cooling. To the resulting mixtures was added dropwise a mixed solution of the intermediate compound (12-1) 204 g and DMF 190 mL under ice-cooling. The resulting reaction mixtures were stirred under ice-cooling for 1 hour, and then added to ice water. The precipitated solids were filtered and washed with water. The resulting solids were dissolved into ethyl acetate, and the resulting solution was washed with saturated brine, and then the organic layers were dried over sodium sulfate. The resulting organic layers were concentrated under reduced pressure, and then the resulting solids were washed with hexane to give an intermediate compound (12-2) 160 g. 1H-NMR (CDCl3) δ: 8.40 (1H, dd), 7.69 (1H, dd), 7.37 (1H, dd), 2.92 (2H, q), 2.72 (3H, s), 1.40 (3H, t).

160 g	With sodium hydride; In N,N-dimethyl-formamide; mineral oil; for 1h;Cooling with ice;	To a suspension of sodium hydride (oily, 60%) (57 g) and DMF (560 mL) was added dropwise ethanethiol (100 mL) under ice-cooling. To the resulting mixture was added dropwise a mixture of the Intermediate compound 7 (204 g) and DMF (190 mL) under ice-cooling. The resulting reaction mixture was stirred under ice-cooling for 1 hour, and then added to ice water. The precipitated solids were filtered, and washed with water. The resulting solids were dissolved into ethyl acetate, the resulting solution was washed with saturated brine, and then the organic layers were dried over sodium sulfate. The resulting organic layers were concentrated under reduced pressure, and then the resulting solids were washed with hexane to give the Intermediate compound 8 represented by the following formula (160 g). Intermediate compound 8: 1H-NMR (CDCl3) δ: 8.40 (1H, dd), 7.69 (1H, dd), 7.37 (1H, dd), 2.92 (2H, q), 2.72 (3H, s), 1.40 (3H, t).
160 g	With sodium hydride; In N,N-dimethyl-formamide; mineral oil; for 1h;Cooling with ice;	To a suspension of sodium hydride (in oil, 60%) 57 g and DMF 560 mL was added dropwise ethanethiol 100 mL under ice-cooling. To the resulting mixture was added dropwise a mixture of the intermediate compound 1 204 g and DMF 190 mE under ice-cooling. The resulting reaction mixture was stirred for 1 hour under ice-cooling, and the mixture was added to ice watet The precipitated out solids were filtered, and washed with water. The obtained solids were dissolved into ethyl acetate, and the resulting solutions were washed with saturated brine, and the organic layers were dried over sodium sulfate. The resulting organic layers were concentrated under reduced pressure, and the obtained solids were then washed with hexane to give an intermediate compound 2 160 g. ‘H-NMR (CDC13) ö: 8.40 (1H, dd), 7.69 (1H, dd),7.37 (1H, dd), 2.92 (2H, q), 2.72 (3H, s), 1.40 (3H, t).
160 g	With sodium hydride; In N,N-dimethyl-formamide; mineral oil; for 1h;Cooling with ice;	10663] To a mixture of sodium hydride (oily, 60%) 57 g and DMF 560 mL, ethanethiol 100 mL was added dropwise under ice-cooling. To the obtained mixture, a mixed solution of the intermediate compound 1 204 g and DMF 190 mL wasadded dropwise under ice-cooling. The obtained mixture was stirred under ice-cooling for one hour and then added to ice-watet The precipitated solid was filtered and washed with water. The obtained solid was dissolved in ethyl acetate, and the solution was washed with saturated brine, dried over sodium sulfate, and concentrated under reduced pressure. The resulting solid was washed with hexane to give the intermediate compound 2 shown below 160 g.10664] The intermediate compound 2: ‘H-NMR (CDC13)ö: 8.40 (1H, dd), 7.69 (1H, dd), 7.37 (1H, dd), 2.92 (2H, q),2.72 (3H, s), 1.40 (3H, t).

References: [1]Patent: JP2017/36339,2017,A .Location in patent: Paragraph 0169; 0179.
[2]Patent: US2017/295787,2017,A1 .Location in patent: Paragraph 0640.
[3]Patent: US2017/305896,2017,A1 .Location in patent: Paragraph 0622.
[4]Patent: US2019/40038,2019,A1 .Location in patent: Paragraph 1263-1264.
[5]Patent: US2019/127328,2019,A1 .Location in patent: Paragraph 0589; 0590.
[6]Patent: US2019/106411,2019,A1 .Location in patent: Paragraph 0663; 0664.

21
[ 131109-75-6 ]
C₁₅H₁₁F₈N₃OS [ No CAS ]

References: [1]Patent: US2017/295787,2017,A1 .

22
[ 131109-75-6 ]
C₁₅H₁₅F₄N₃OS [ No CAS ]

References: [1]Patent: US2017/295787,2017,A1 .

23
[ 131109-75-6 ]
C₁₁H₁₁N₃OS [ No CAS ]

References: [1]Patent: US2017/295787,2017,A1 .
[2]Patent: US2019/40038,2019,A1 .
[3]Patent: US2019/127328,2019,A1 .
[4]Patent: US2019/106411,2019,A1 .

24
[ 131109-75-6 ]
C₁₁H₁₀ClN₃S [ No CAS ]

References: [1]Patent: US2017/295787,2017,A1 .
[2]Patent: US2019/106411,2019,A1 .

25
[ 131109-75-6 ]
C₁₁H₁₀ClN₃O₂S [ No CAS ]

References: [1]Patent: US2017/295787,2017,A1 .
[2]Patent: US2019/40038,2019,A1 .
[3]Patent: US2019/106411,2019,A1 .

26
[ 131109-75-6 ]
C₁₂H₁₃N₃O₄S₂ [ No CAS ]

References: [1]Patent: US2017/295787,2017,A1 .

27
[ 131109-75-6 ]
C₁₃H₁₂Cl₃N₃O₃S [ No CAS ]

References: [1]Patent: US2017/295787,2017,A1 .

28
[ 131109-75-6 ]
C₁₄H₁₅F₂N₃OS [ No CAS ]

References: [1]Patent: US2017/295787,2017,A1 .

29
[ 131109-75-6 ]
C₁₄H₁₅F₂N₃O₂S [ No CAS ]

References: [1]Patent: US2017/295787,2017,A1 .

30
[ 131109-75-6 ]
C₁₄H₁₆F₃NO₄S [ No CAS ]

References: [1]Patent: US2017/295787,2017,A1 .

31
[ 131109-75-6 ]
C₁₂H₁₀F₃N₃OS [ No CAS ]

References: [1]Patent: US2017/295787,2017,A1 .

32
[ 131109-75-6 ]
C₁₂H₉ClF₃N₃S [ No CAS ]

References: [1]Patent: US2017/295787,2017,A1 .

33
[ 131109-75-6 ]
C₁₅H₁₁F₈N₃O₃S [ No CAS ]

References: [1]Patent: US2017/295787,2017,A1 .

34
[ 131109-75-6 ]
C₁₄H₁₉NO₆S [ No CAS ]

References: [1]Patent: US2017/295787,2017,A1 .

35
[ 131109-75-6 ]
C₁₂H₁₃N₃OS [ No CAS ]

References: [1]Patent: US2017/295787,2017,A1 .

Historical Records

Technical Information

• Alkyl Halide Occurrence • Baeyer-Villiger Oxidation • Barbier Coupling Reaction • Baylis-Hillman Reaction • Bucherer-Bergs Reaction • Clemmensen Reduction • Corey-Bakshi-Shibata (CBS) Reduction • Corey-Chaykovsky Reaction • Fischer Indole Synthesis • General Reactivity • Grignard Reaction • Henry Nitroaldol Reaction • Hiyama Cross-Coupling Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Lawesson's Reagent • Leuckart-Wallach Reaction • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Peterson Olefination • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Aldehydes and Ketones • Preparation of Amines • Prins Reaction • Reactions of Aldehydes and Ketones • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reformatsky Reaction • Robinson Annulation • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Stille Coupling • Stobbe Condensation • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Tebbe Olefination • Ugi Reaction • Wittig Reaction • Wolff-Kishner Reduction

Related Functional Groups of
[ 131109-75-6 ]

Chlorides

A117449 [206181-90-0]

3-Chloropyridine-2-carboxaldehyde

Similarity: 0.88

A347127 [343781-53-3]

3,6-Dichloropicolinaldehyde

Similarity: 0.83

A243174 [60159-37-7]

1-(4-Chloropyridine-2-yl)ethanone

Similarity: 0.79

A100625 [896139-36-9]

1-(4-Chloropyridin-2-yl)propan-1-one

Similarity: 0.77

A142036 [114080-95-4]

3-Chloropicolinamide

Similarity: 0.75

Ketones

A243174 [60159-37-7]

1-(4-Chloropyridine-2-yl)ethanone

Similarity: 0.79

A100625 [896139-36-9]

1-(4-Chloropyridin-2-yl)propan-1-one

Similarity: 0.77

A207927 [94952-46-2]

1-(5-Chloropyridin-2-yl)ethanone

Similarity: 0.75

A363205 [152356-57-5]

1-(6-Chloropyridin-2-yl)ethanone

Similarity: 0.75

A110480 [6318-51-0]

(4-Chlorophenyl)(pyridin-2-yl)methanone

Similarity: 0.70

Related Parent Nucleus of
[ 131109-75-6 ]

Pyridines

A117449 [206181-90-0]

3-Chloropyridine-2-carboxaldehyde

Similarity: 0.88

A347127 [343781-53-3]

3,6-Dichloropicolinaldehyde

Similarity: 0.83

A243174 [60159-37-7]

1-(4-Chloropyridine-2-yl)ethanone

Similarity: 0.79

A100625 [896139-36-9]

1-(4-Chloropyridin-2-yl)propan-1-one

Similarity: 0.77

A142036 [114080-95-4]

3-Chloropicolinamide

Similarity: 0.75

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

{[proInfo.proName]}

CAS No.: 131109-75-6

{[proInfo.proName]}