399-88-2|3-Fluoro-4-methylpyridine| Ambeed

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Structure of 399-88-2

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Quality Control of [ 399-88-2 ] Purity: 97% SDS Specification

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Product Details of [ 399-88-2 ]

CAS No. :	399-88-2
Formula :	C₆H₆FN
M.W :	111.12
SMILES Code :	CC1=C(F)C=NC=C1
MDL No. :	MFCD04114226
InChI Key :	WZMOEPZZTTWDIA-UHFFFAOYSA-N
Pubchem ID :	345367

Safety of [ 399-88-2 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H225-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338
Class:	3
UN#:	1993
Packing Group:	Ⅲ

Computational Chemistry of [ 399-88-2 ] Show Less

Physicochemical Properties

Num. heavy atoms	8
Num. arom. heavy atoms	6
Fraction Csp3	0.17
Num. rotatable bonds	0
Num. H-bond acceptors	2.0
Num. H-bond donors	0.0
Molar Refractivity	29.16
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	12.89 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	1.61
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	1.32
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	1.95
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.	1.24
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	2.28
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	1.68

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-1.92
Solubility	1.35 mg/ml ; 0.0121 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Very soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-1.19
Solubility	7.15 mg/ml ; 0.0643 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	-2.63
Solubility	0.261 mg/ml ; 0.00235 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.	-6.04 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	2.0
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)	1.21

Application In Synthesis of [ 399-88-2 ]

* 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.

Downstream synthetic route of [ 399-88-2 ]

[ 399-88-2 ] Synthesis Path-Downstream 1~35

1
[ 399-88-2 ]
[ 393-53-3 ]

References: [1]Journal of Organic Chemistry,1955,vol. 20,p. 1729,1731.

3
[ 3430-27-1 ]
aq.-ethanolic tetrafluoroboric acid [ No CAS ]
[ 399-88-2 ]

References: [1]Journal of Organic Chemistry,1955,vol. 20,p. 1729,1731.

4
[ 372-47-4 ]
[ 74-88-4 ]
[ 399-88-2 ]

Yield	Reaction Conditions	Operation in experiment
47%		3-Fluoro-4-methylpyridine To a cooled (-780C) solution of Lambda/,Lambda/-diisopropylamine (15.92mL, 113.4mmol) in THF (14OmL) a solution of BuLi 2.5M in hexane (45.4ml, 113.4 mmol) was added dropwise over 30 minutes under an atmosphere of Argon. The mixture was stirred for 30 min. at - 780C and a solution of 3-fluoropyridine (1 Og1 103.1 mmol) in THF (5ml) was added. After 1h at -780C, the mixture was treated with MeI (7 ml, 113.4mmol) and then was allowed to reach 250C. A solution of NaHCO3 saturated (30ml) was added and the aqueous phase was extracted with diethyl ether. The organic layer was dried (MgSO4) and upon distillation the product was collected as a colourless liquid, bp 1300C, yield 5.3 g (47percent) delta 1 H-NMR (CDCI3): 8.25 (s, 1 H), 8.18 (m, 1 H), 7.02 (m, 1 H). ESI/MS m/e: 112 ([M+H]+, C6H6FN)
	With diisopropylamine;	3-Fluoro-4-methylpyridine (5-1) To a stirred solution of LDA (5.5 mmol) at -78° C., was added 3-fluoropyridine (486 mg, 5.0 mmol) dropwise. After stirring for 4h at -78° C., methyl iodide was added dropwise (0.343 mL, 5.5 mmol). The reaction was quenched after stirring at -78° C. for 2 h, by the addition of 20 mL of sat. aq. NH4Cl. This mixture was extracted with EtOAc (3*25 mL), the combined organics dried and concentrated to afford the product as a yellow solid 5-1: 1H NMR (CDCl3) delta 8.36 (br s, 1H), 8.27 (d, 1H, 4.8 Hz), 7.15 (br dd, 1H, 5.7, 5.7 Hz), 2.32 (s, 3H).
		To a solution of diisopropylamine in THF (200 mL) was added a 2.44 M H-BuLi in THF (116 mL) at 0 0C and the mixture was stirred at 0 0C for 20 min. The mixture was cooled to -60 0C and a solution of 3-fluoropyridine (25.0 g) in THF (100 mL) was added. The mixture was stirred at -60 0C for 3 h and a solution of iodomethane (17.6 mL) in THF (100 mL) was added. The mixture was stirred at -60 0C for 30 min and the reaction was quenched with saturated aqueous NH4CI (100 mL). The aqueous layer was extracted with EtOAc (three times). The combined organic layer was dried over MgSO4, filtered, concentrated under reduced pressure to give a colorless oil (14.6 g). To a solution of the above oil (14.6 g) in CHCl3 (145 mL) was added a suspension of m-chloroperbenzoic acid (34.8 g) in CHCl3 (145 mL) at 0 0C and the mixture was stirred at ambient temperature for 3 h. To the mixture was added saturated aqueous Na2S2psi3 and the organic layer was separated. The aqueous layer was extracted with CHCl3 (three times). The combined organic layer was washed with IM aqueous NaOH and saturated aqueous NaCl, dried over MgSO4, filtered, concentrated under reduced pressure EPO <DP n="102"/>and purified by medium-pressure liquid chromatography (silica gel, 2percent to 4percent MeOH in CHCl3) to give the title compound (3.47 g).1HNMR (SOO MHz, CDCl3, delta): 2.28-2.32 (m, 3H), 7.06-7.13 (m, IH), 7.96-8.00 (m, IH), 8.11 (dd,J= 4.9, 1.8 Hz, IH); ESI MS m/z 150 (M++23, 100percent).

References: [1]Patent: WO2007/17096,2007,A1 .Location in patent: Page/Page column 70-71.
[2]Journal of Medicinal Chemistry,2003,vol. 46,p. 461 - 473.
[3]Patent: US6455532,2002,B1 .
[4]Patent: US6350745,2002,B1 .Location in patent: Page column 15;16.
[5]Patent: WO2006/35967,2006,A1 .Location in patent: Page/Page column 98-99.

5
[ 399-88-2 ]
[ 33252-59-4 ]

Yield	Reaction Conditions	Operation in experiment
	With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 0 - 20℃; for 3h;	To a solution of diisopropylamine in THF (200 mL) was added a 2.44 M H-BuLi in THF (116 mL) at 0 0C and the mixture was stirred at 0 0C for 20 min. The mixture was cooled to -60 0C and a solution of 3-fluoropyridine (25.0 g) in THF (100 mL) was added. The mixture was stirred at -60 0C for 3 h and a solution of iodomethane (17.6 mL) in THF (100 mL) was added. The mixture was stirred at -60 0C for 30 min and the reaction was quenched with saturated aqueous NH4CI (100 mL). The aqueous layer was extracted with EtOAc (three times). The combined organic layer was dried over MgSO4, filtered, concentrated under reduced pressure to give a colorless oil (14.6 g). To a solution of the above oil (14.6 g) in CHCl3 (145 mL) was added a suspension of m-chloroperbenzoic acid (34.8 g) in CHCl3 (145 mL) at 0 0C and the mixture was stirred at ambient temperature for 3 h. To the mixture was added saturated aqueous Na2S2psi3 and the organic layer was separated. The aqueous layer was extracted with CHCl3 (three times). The combined organic layer was washed with IM aqueous NaOH and saturated aqueous NaCl, dried over MgSO4, filtered, concentrated under reduced pressure EPO <DP n="102"/>and purified by medium-pressure liquid chromatography (silica gel, 2percent to 4percent MeOH in CHCl3) to give the title compound (3.47 g).1HNMR (SOO MHz, CDCl3, delta): 2.28-2.32 (m, 3H), 7.06-7.13 (m, IH), 7.96-8.00 (m, IH), 8.11 (dd,J= 4.9, 1.8 Hz, IH); ESI MS m/z 150 (M++23, 100percent).

References: [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 461 - 473.
[2]Patent: WO2006/35967,2006,A1 .Location in patent: Page/Page column 98-99.
[3]Bioorganic and Medicinal Chemistry Letters,2015,vol. 25,p. 3636 - 3643.

6
[ 399-88-2 ]
[ 312904-99-7 ]

References: [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 461 - 473.

7
[ 399-88-2 ]
2-aminomethyl-3-fluoro-4-methylpyridine dihydrochloride [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 461 - 473.

8
[ 399-88-2 ]
3-Fluoro-4-methyl-2-pyridylmethyl 3-(2,2-difluoro-2-(2-pyridyl)ethylamino)-6-chloropyrazin-2-one-1-acetamide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 461 - 473.

9
[ 399-88-2 ]
2-[3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 461 - 473.

10
[ 399-88-2 ]
2-[3-(2,2-difluoro-2-phenyl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 461 - 473.

11
[ 399-88-2 ]
3-fluoro-4-methyl-2-pyridylmethyl 3-(2,2-difluoro-2-(2-pyridyl)ethylamino)-6-cyanopyrazin-2-one-1-acetamide hydrochloride [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 461 - 473.

12
[ 399-88-2 ]
[ 343-72-6 ]

References: [1]Journal of Organic Chemistry,1955,vol. 20,p. 1729,1731.

13
[ 23056-33-9 ]
[ 399-88-2 ]

References: [1]Journal of Organic Chemistry,1955,vol. 20,p. 1729,1731.

14
[ 21901-41-7 ]
[ 399-88-2 ]

References: [1]Journal of Organic Chemistry,1955,vol. 20,p. 1729,1731.

15
[ 21901-40-6 ]
[ 399-88-2 ]

References: [1]Journal of Organic Chemistry,1955,vol. 20,p. 1729,1731.

16
[ 6635-86-5 ]
[ 399-88-2 ]

References: [1]Journal of Organic Chemistry,1955,vol. 20,p. 1729,1731.

17
[ 21901-18-8 ]
[ 399-88-2 ]

References: [1]Journal of Organic Chemistry,1955,vol. 20,p. 1729,1731.

18
[ 23056-39-5 ]
[ 399-88-2 ]

References: [1]Journal of Organic Chemistry,1955,vol. 20,p. 1729,1731.

19
[ 399-88-2 ]
DCM-MeOH [ No CAS ]
[ 33252-59-4 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; water;	3-Fluoro-4-methylpyridine-N-oxide. (5-2) To a stirred solution of 3.17 g (28.6 mmol) of <strong>[399-88-2]3-fluoro-4-methylpyridine</strong> in 5-1 35 mL of dichloromethane was added 4.83 g NaHCO3 (57.5 mmol, in 10 mL H2O). This mixture was cooled to 0° C., and 9.85 g of MCPBA (57.1 mmol) was added in three portions over 15 min. The reaction was allowed to warm to room temperature overnight. The layers of the biphasic mixture were separated and the aqueous phase was washed with chloroform (3*100 mL). The combined organic layers were dried over MgSO4 and the solvents removed at reduced pressure to give an oil that was chromatographed on SiO2 using 95:5 DCM-MeOH to give 5-2 as a white solid: 1H NMR (CDCl3) delta 8.13 (d, 1H, 4.6 Hz), 7.99 (d, 1H, 6.6 Hz), 7.09 (br dd, 1H, 7.6, 7.6 Hz), 2.30 (s, 3H).

References: [1]Patent: US6455532,2002,B1 .

20
[ 399-88-2 ]
[ 7677-24-9 ]
[ 312904-99-7 ]

References: [1]Patent: US6350745,2002,B1 .Location in patent: Page column 16.

21
[ 695-34-1 ]
[ 399-88-2 ]

References: [1]Journal of Fluorine Chemistry,2011,vol. 132,p. 541 - 547.

22
[ 399-88-2 ]
[ 471909-36-1 ]

References: [1]Journal of Fluorine Chemistry,2011,vol. 132,p. 541 - 547.

23
[ 399-88-2 ]
[ 40273-47-0 ]

References: [1]Journal of Fluorine Chemistry,2011,vol. 132,p. 541 - 547.

24
[ 399-88-2 ]
[ 100-52-7 ]
[ 177600-62-3 ]

References: [1]Journal of Fluorine Chemistry,2011,vol. 132,p. 541 - 547.

25
[ 3430-27-1 ]
[ 399-88-2 ]

References: [1]Journal of Fluorine Chemistry,2011,vol. 132,p. 541 - 547.

26
[ 399-88-2 ]
[ 451-46-7 ]
[ 1383377-54-5 ]

Yield	Reaction Conditions	Operation in experiment
89%		Step 6: Preparation of 1-(4-fluorophenyl)-2-(3-fluoropyridin-4-yl)ethanoneLithium hexamethyldisilazide (1.0M in THF, 17.9 mL, 17.9 mmol) was cooled to 0° C. and <strong>[399-88-2]3-fluoro-4-methylpyridine</strong> (1.00 g, 0.926 mmol) in THF (50 mL) was added dropwise, keeping the solution temperature below 5° C. The mixture was then stirred for 1 hour at 0° C. and ethyl 4-fluorobenzoate in THF (50 mL) was added dropwise. The reaction was allowed to warm slowly to rt with stirring overnight. Aqueous ammonium chloride was added and the mixture was poured into EtOAc. The organic phase was separated dried (Na2SO4) and concentrated. Silica gel chromatography using a 10-50percent EtOAc/heptanes gradient yielded 1.83 g (89percent) of Ex 1-Step 6 product as a white solid: LCMS m/z 234.4 (M+1); 1H NMR (400 MHz, MeOH-d4) delta 8.41 (d, J=1.7 1H), 8.32 (d, J=4.8, 1H), 8.14 (dd, J=8.9, 5.4, 2H), 7.38 (dd, J=5.9, 5.1, 1H), 7.25 (dd, J=9.0, 9.0, 2H), 4.52 (s, 2H).

References: [1]Patent: US2012/157440,2012,A1 .Location in patent: Page/Page column 27.

27
[ 399-88-2 ]
[ 1383376-92-8 ]

References: [1]Patent: US2012/157440,2012,A1 .

28
[ 399-88-2 ]
[ 1383377-50-1 ]

References: [1]Patent: US2012/157440,2012,A1 .

29
[ 399-88-2 ]
[ 1383377-51-2 ]

References: [1]Patent: US2012/157440,2012,A1 .

30
[ 399-88-2 ]
[ 1383377-56-7 ]
3-fluoro-4-[5-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridine [ No CAS ]

References: [1]Patent: US2012/157440,2012,A1 .

31
[ 399-88-2 ]
[ 1383377-58-9 ]

References: [1]Patent: US2012/157440,2012,A1 .

32
[ 399-88-2 ]
[ 1383377-62-5 ]

References: [1]Patent: US2012/157440,2012,A1 .

33
[ 399-88-2 ]
[ 1383376-98-4 ]

References: [1]Patent: US2012/157440,2012,A1 .

34
[ 399-88-2 ]
[ 1383377-64-7 ]

References: [1]Patent: US2012/157440,2012,A1 .

35
[ 399-88-2 ]
[ 1383377-66-9 ]

References: [1]Patent: US2012/157440,2012,A1 .

Historical Records

Technical Information

• Alkyl Halide Occurrence • Preparation of Amines

Related Functional Groups of
[ 399-88-2 ]

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[ 399-88-2 ]

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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

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CAS No.: 399-88-2

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