2972-52-3|2,4-Dichloro-5-pyrimidinecarbonyl chloride| Ambeed

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Quality Control of [ 2972-52-3 ] Purity: 95% SDS Specification

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Product Details of [ 2972-52-3 ]

CAS No. :	2972-52-3
Formula :	C₅HCl₃N₂O
M.W :	211.43
SMILES Code :	ClC1=NC=C(C(=N1)Cl)C(=O)Cl
MDL No. :	MFCD09742432
InChI Key :	DZTIFMWYYHCREC-UHFFFAOYSA-N
Pubchem ID :	13784112

Safety of [ 2972-52-3 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H302+H312+H332-H314
Precautionary Statements:	P280-P305+P351+P338-P310
Class:	8
UN#:	3265
Packing Group:	Ⅲ

Computational Chemistry of [ 2972-52-3 ] Show Less

Physicochemical Properties

Num. heavy atoms	11
Num. arom. heavy atoms	6
Fraction Csp3	0.0
Num. rotatable bonds	1
Num. H-bond acceptors	3.0
Num. H-bond donors	0.0
Molar Refractivity	42.24
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	42.85 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	1.62
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	2.63
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	2.16
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.	0.79
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	2.76
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	1.99

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-3.15
Solubility	0.151 mg/ml ; 0.000715 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.	-3.18
Solubility	0.14 mg/ml ; 0.00066 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	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	-3.46
Solubility	0.074 mg/ml ; 0.00035 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.	-5.72 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	0.0
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	1.0 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)	1.63

Application In Synthesis of [ 2972-52-3 ]

* 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 [ 2972-52-3 ]

[ 2972-52-3 ] Synthesis Path-Downstream 1~35

1
[ 328-74-5 ]
[ 2972-52-3 ]
2,4-DICHLORO-5-N-[3',5'-BIS(TRIFLUOROMETHYL)PHENYL]PYRIMIDINE-5-CARBOXAMIDE [ No CAS ]

References: [1]Journal of medicinal chemistry,2000,vol. 43,p. 3995 - 4004.

2
[ 454-81-9 ]
[ 2972-52-3 ]
2-chloro-8-(trifluoromethyl)-6H-benzo[b]pyrimidino[5,4-f]-1,4-oxazaperhydroepin-5-one [ No CAS ]

References: [1]Medicinal Chemistry Research,2000,vol. 10,p. 19 - 29.

3
[ 19406-49-6 ]
[ 2972-52-3 ]
2-chloro-8-(trifluoromethyl)-6H-benzo[b]pyrimidino[5,4-f]-1,4-thiazaperhydroepin-5-one [ No CAS ]

References: [1]Medicinal Chemistry Research,2000,vol. 10,p. 19 - 29.

4
[ 64-04-0 ]
[ 2972-52-3 ]
[ 927176-99-6 ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.
[2]Bioorganic and Medicinal Chemistry Letters,2008,vol. 18,p. 4642 - 4646.

5
[ 55-81-2 ]
[ 2972-52-3 ]
2,4-dichloro-pyrimidine-5-carboxylic acid [2-(4-methoxy-phenyl)-ethyl]-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

6
[ 2039-67-0 ]
[ 2972-52-3 ]
2,4-dichloro-pyrimidine-5-carboxylic acid [2-(3-methoxy-phenyl)-ethyl]-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

7
[ 23945-44-0 ]
[ 2972-52-3 ]

Yield	Reaction Conditions	Operation in experiment
100%	With phosphorus pentachloride; trichlorophosphate; at 0℃; for 16h;Inert atmosphere; Reflux;	Example 9; 7-Amino-8-ethyl-5-oxo-2-[4-(3-pyridin-3-ylmethylureido)phenyl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid Methylamide (No. 53)9.1: 2,4-Dihydroxypyrimidine-5-carbonyl Chloride In a 250 ml round-bottomed flask, under a nitrogen atmosphere, 10.0 g (64.0 mmol) of 2,4-dihydroxypyrimidine-5-carboxylic acid are dissolved in 46 ml (500.0 mmol) of POCl3. The temperature of the mixture is reduced to 0 C. by means of an ice bath, and then 47.7 g (230 mmol) of PCl5 are added in small portions. The solution is stirred for 16 h at reflux and the solvents are then evaporated off under reduced pressure. The residue is taken up and triturated in 100 ml of toluene and then filtered. This operation is repeated three times and then the filtrate is evaporated under reduced pressure, so as to give 13.5 g (64.0 mmol) of compound in the form of a yellow oil which is used directly for the next stage. Yield=100%.
99%	With phosphorus pentachloride; trichlorophosphate; at 0℃; for 16h;Reflux;	11.1: 2,4-Dichloropyrimidine-5-carbonyl chloride 2,4-Dihydroxypyrimidine-5-carboxylic acid (10 g, 64 mmol) is dispersed in POCl3 (45 ml) at 0 C. PCl5 (46.6 g, 224 mmol) is carefully added and the mixture is stirred under gentle reflux for 16 h. The slightly yellow solution is evaporated under reduced pressure and the solid is washed with toluene, and the solution is filtered and the filtrate evaporated to give 13.4 g (yd: 99%) of the compound. 1H NMR, d6-DMSO (300 MHz): 9.13 (s, 1H).
99%	With phosphorus pentachloride; trichlorophosphate; at 0℃; for 16h;Reflux;	To POC13 (45mL, 0.07 1 mol) in a round bottom flask was added 2,4-dihydroxypyrimidine-5-carboxylic acid(10.00 g, 0.064 mol) portion wise at 0 C, followed by slow addition of PC15 (46.60 g, 0.229 mol). The reaction mixture was warmed to r.t. and heated to reflux for 16 h. The mixture was concentrated to dryness, slurried with DCM (30 mL), and the solid precipitated was filtered and washed with DCM (2 x 20 mL). The filtrate was evaporated under reduced pressure to afford the title compound (13.900 g, 99%) as a yellow oil. ‘H NMR (400 MHz, CDC13): ö 9.25 (s, 1H).

96.8%	With phosphorus pentachloride; trichlorophosphate; at 5 - 100℃; for 7h;	(1) Firstly disperse 125 g of uracil-5-carboxylic acid in 400 ml of phosphorus oxychloride, cool to 5-10 C, add 500 g of phosphorus pentachloride to complete mixing, and heat to 100 C for reflux reaction, the reaction time is 7 hours;(2) After the reflux reaction is completed, the temperature is reduced, and excess phosphorus oxychloride is removed by a reduced pressure distillation method;(3) 177 g of pure product was obtained by distillation under reduced pressure, the purity was greater than 97%, and the yield was 96.8%.
96%	With phosphorus pentachloride; trichlorophosphate; at 0 - 105℃; for 16h;	At 0C, 2,4-dihydroxypyrimidine-5-carboxylic acid (5.0g, 32.0mmol) was added to POCl3 (23mL) in batches, then PCl5 (23.3g) was added, and the mixture was moved to 105C and reacted for 16 hours, then concentrated , Add n-heptane (20 mL), filter, and concentrate the filtrate to obtain 6.5 g of product with a yield of 96%.
92%	With phosphorus pentachloride; trichlorophosphate; at 115℃; for 12h;	To a solution of 2,4-dihydroxypyrimidine-5- carboxylic acid (5.0 g, 32.0 mmol) in POCI3 (50 mL) was added PCI5 (23.9 g, 115.2 mmol), and the resulting solution was heated to 115 C and stirred for 12 h. The solvent was evaporated and the crude residue was diluted with ethyl acetate (100 mL). The solid was filtered and the filtrate was concentrated to give the title compound as brown oil (6.2 g, 92%).
78.8%	With phosphorus pentachloride; trichlorophosphate; at 120℃; for 16.5h;Cooling with ice;	Under ice-water bath stirring, phosphorus pentachloride (29.6g, 142mmol) was slowly added to 2,4-dihydroxypyrimidine-5-carboxylic acid (CAS: 23945-44-0, 6.2g, 40mmol) in batches. Phosphorus oxychloride (30ml) solution, stirred for 30min in an ice bath. Then the temperature was gradually increased to reflux (oil bath temperature 120C). After refluxing for 16 hours, it was cooled to room temperature. Carefully concentrate under reduced pressure, and the distillate is phosphorus oxychloride, which is quenched with warm water. After the residue was dissolved in dichloromethane, it was filtered. After the mother liquor was concentrated again, 6.7 g of oil was obtained, with a crude yield of 78.8%. Directly used in the next reaction
70%	With phosphorus pentachloride; trichlorophosphate;	Method 31 2,4-Dichloro-5-chloroformylpyrimidine 5-Carboxy-2,4-dihydroxypyrimidine (19.0 g, 0.12 mol), phosphorus pentachloride (83.5 g, 0.40 mol); and phosphoryl chloride (28.3 ml, 0.30 mol) were heated at 114 C. for 5 hours. The resulting solution was cooled overnight and the volatiles removed by evaporation. The residue was purified by vacuum distillation to yield the title compound as a clear oil (17.85 g, 70%). M/z: 211.
46%		Example 16 2,4-DICHLOROPYRIMIDINE-5-CARBONYL CHLORIDE The title compound was prepared as described in the literature (Smith and Christensen, J. Org. Chem. 20:829, 1955) starting from 2,4-dihydroxypyrimidine-5-carboxylic acid. The compound was obtained by distillation; b.p. 90-100 C. (1.5 mm/Hg) in a yield of 46%; 1 H-NMR (CDCl3) δ 9.29.
35%	With phosphorus pentachloride; trichlorophosphate;	REFERENTIAL EXAMPLE 26 2,4-Dichloro-5-chlorocarbonylpyrimidine STR43 Twenty grams of 2,4-dihydroxypyrimidine-5-carboxylic acid and 220 ml of phosphorus oxychloride were reacted under reflux for 10 hours. Thereafter, the reaction mixture was cooled to room temperature and 100 g of phosphorus pentachloride was added. The contents were again reacted at 120 C. for 7 hours. After completion of the reaction, phosphorus oxychloride was distilled off and the reaction product was purified by its distillation under reduced pressure (b.p. 130-140 C./1 mmHg, yield: 35%).
	With phosphorus pentachloride; trichlorophosphate; at 75℃;Heating / reflux;	Prepared according to GB 1,182, 086: URACIL-5-CARBOXYLIC ACID MONOHYDRATE (15. 1 G, 86.7 mmol) was added in one portion to a suspension of phosphorus pentachloride (72.2 g, 346.7 mmol) in phosphorus oxychloride (50 mL). More phosphorus oxychloride (20 mL) was added. The reaction mixture was then heated up to 75 C and gradually to reflux overnight. The phosphorus oxychloride was then distilled off. The mixture was filtered, the precipitate washed with ethyl acetate and the filtrate was concentrated in vacuo to give the title compound (18.3 G) as a yellow oil 'H NMR (400 MHz, CDC13) : 9.26 (1H) ; 13C NMR (400 MHz, CDC13) : 126.44, 161.34, 162.19, 163.94, 164.43
	With phosphorus pentachloride; trichlorophosphate; at 115℃;	2,4-dichloro-5-pyrimidinecarbonyl chlorideA solution of 2,4-dihydroxy-pyrimidine-5-carboxylic acid (5Og) and phosphorous pentachloride (239g) in phosphorous oxychloride (230ml) was stirred at 1150C overnight. The excess phosphorous oxychloride was removed in vacuo and ethyl acetate (200ml) added to the residue. The mixture was filtered and the filtrate was concentrated to give yellow oil (78 g) as crude 2,4-dichloro-5-pyrimidinecarbonyl chloride which was used in the next step without further purification.1 H NMR (300MHz, D6-DMSO): δH 9.13(1 H, s).
	With phosphorus pentachloride; trichlorophosphate; for 16h;Heating / reflux;	A suspension of 17.0 g (106 mmol) of 2,4-dihydroxypyrimidine-5-carboxylic acid hydrate and 81.1 g (370 mmol) of phosphorus pentachloride in 78 mL phosphorus oxycloride was heated at reflux for 16 h. The excess phosphorus oxycloride was removed by distillation and the residue was filtered. The filtered solids were rinsed with ethyl acetate and the filtrate was concentrated to give the title compound, which was used without further purification. 1H- NMR (CDC13) δ 9.25 (s, 1 H).
	With phosphorus pentachloride; trichlorophosphate; at 115℃;	Example 17Synthesis of 5-Carboxyamide-2,4-DichloropyrimidineTo a 2 L round bottom flask equipped with water condenser and a CaCl2 drying tube, 2,4-dihydroxypyrimidine (25 g, 0.16 mole) was added to PCl5 (117 g, 0.56 mole), and POCl3 (250 ml, 2.6 mole). The mixture was heated at 115 C. overnight to give a clear, slightly light yellow solution. The mixture was cooled to room temperature, and was concentrated under reduced pressure to give pale yellowish oil.To this oil, anhydrous 1,4-dioxane (300 ml) was added and the mixture was cooled to 0 C. in an ice/water bath. 35 ml of NH3 in water (28%) was added dropwise to the mixture with stirring, temperature was kept below 5 C. The mixture changed from clear to white with precipitate forming, and was stirred for 1 hour at 0 C., reaction was followed by TLC (1:1 Hexanes:Ethyl Acetate). Ethyl acetate (700 ml) and water (500 ml) were added to the mixture, the 2 layers were separated. The organic layer was dried with Na2SO4, and filtered. The solution was concentrated under reduced pressure to give a light yellow solid. This light yellow solid was sonicated with methylene chloride (200 ml), and filtered to give a pale yellow solid (16 g). This pale yellow solid was dissolved into ethyl acetate (1.5 L) and washed with saturated NaHCO3 (500 ml). The organic layer was dried with Na2SO4, filtered, and concentrated under reduced pressure to give 13.1 g of product as a white solid (44% yield).1H NMR (DMSO-d6, 300 MHz): δ 8.86 (s, 1H), 8.14 (bs, 1H), 8.02 (bs, 1H).
	With phosphorus pentachloride; trichlorophosphate; at 115℃;	Example 3 Synthesis of 5-carboxyamide-2,4-dichloropyrimidine To a 2 L round bottom flask equipped with water condenser and a CaCl2 drying tube, 2,4-dihydroxypyrimidine (25 g, 0.16 mole) was added to PCl5 (117 g, 0.56 mole), and POCl3 (250 ml, 2.6 mole). The mixture was heated at 115 C. overnight to give a clear, slightly light yellow solution. The mixture was cooled to room temperature, and was concentrated under reduced pressure to give pale yellowish oil. To this oil, anhydrous 1,4-dioxane (300 ml) was added and the mixture was cooled to 0 C. in an ice/water bath. 35 ml of NH3 in water (28%) was added dropwise to the mixture with stirring, temperature was kept below 5 C. The mixture changed from clear to white with precipitate forming, and was stirred for 1 hour at 0 C., reaction was followed by TLC (1:1 Hexanes:Ethyl Acetate). Ethyl acetate (700 ml) and water (500 ml) were added to the mixture, the 2 layers were separated. The organic layer was dried with Na2SO4, and filtered. The solution was concentrated under reduced pressure to give a light yellow solid. This light yellow solid was sonicated with methylene chloride (200 ml), and filtered to give a pale yellow solid (16 g). This pale yellow solid was dissolved into ethyl acetate (1.5 L) and washed with sat. NaHCO3 (500 ml). The organic layer was dried with Na2SO4, filtered, and concentrated under reduced pressure to give 13.1 g of product as a white solid (44% yield). 1H NMR (DMSO-d6, 300 MHz): δ 8.86 (s, 1H), 8.14 (bs, 1H), 8.02 (bs, 1H).
4.38 g	With phosphorus pentachloride; trichlorophosphate; for 4.5h;Reflux;	5.1.32 2,4-Dichloropyrimidine-5-carboxamide (27) To a solution of 2,4-dihydroxypyrimidine-5-carboxylic acid (25) (2.98 g, 19.1 mmol) in POCl3 (7.10 mL, 76.4 mmol) was added PCl5 (13.1 g, 63.0 mmol) and the reaction mixture was refluxed for 4.5 h. After cooling, the reaction mixture was concentrated in vacuo. To the resulting residue, toluene (20 mL) was added and the mixture was concentrated in vacuo again. The residue was dissolved in CH2Cl2 (20 mL) and filtered. The filtrate was concentrated in vacuo to give 2,4-dichloropyrimidine-5-carbonyl chloride (26) as a yellow oil (4.38 g). This compound was used for next reaction without further purification. To a solution of 26 (4.38 g) in CH2Cl2 (5 mL) were added 28% NH3 aqueous solution (3 mL) and H2O (3 mL) at -10 C, and the reaction mixture was stirred at -10 C for 5 min. The organic solvent was removed under reduced pressure and the resulting precipitate was collected by filtration to give the title compound (3.13 g, 16.3 mmol, 85% from 25) as a pale yellow solid. 1H NMR (DMSO-d6) δ: 8.05 (1H, s), 8.17 (1H, s), 8.90 (1H, s); MS (ESI) m/z: 192 (M+H)+.
	With phosphorus pentachloride; trichlorophosphate; at 115℃;	(a) (2,4-dichloropyrimidin-5-yl')(2-methylmorpholino')methanone (compound 3) Phosphorus pentachloride (128.1 g, 0.615 mol) was added portionwise to a stirred mixture of 2,4-dihydroxypyrimidine-5-carboxylic acid (compound 1) (26.7 g, 171 mmol, Alfa Aesar) in phosphorous oxychloride (122.2 ml_, 1.29 mol) at RT. The reaction mixture was heated to 115 C and stirred overnight. The reaction was cooled to RT and the volatiles were removed under vacuum. The residue was diluted with cyclohexane and filtered. The filtrate was evaporated under reduced pressure to give 2,4-dichloropyrimidine-5-carbonyl chloride (compound 2) as a yellow oil (37.9 g). This material was used in the next step without further purification. A solution of 2-methylmorpholine (Intermediate B) (4.91 g, 48.6 mmol, Enamine) and DIPEA (8.5 ml_, 48.8 mmol) in DCM (60 ml.) was added dropwise over 30 minutes to a stirred solution of 2,4-dichloropyrimidine-5-carbonyl chloride (compound 2) (9.34 g, 44.2 mmol) in DCM (242 ml.) at 0 C. The reaction mixture was stirred for 2 h at 0 C and then quenched with H20. The phases were separated and the organic phase washed with 0.5 M HCI, H20, dried over Na2S04 and then evaporated under reduced pressure. The residue was purified by flash column chromatography (Cyclohexane/EtOAc 6/4 to 4/6) to give desired (2,4- dichloropyrimidin-5-yl)(2-methylmorpholino)methanone (compound 3) as a colourless oil which solidified on standing (11.02 g, 90% yield). It will be appreciated by the skilled artisan that the above reaction may be carried out using 2-methylmorpholine hydrochloride salt (Intermediate B, hydrochloride salt), in which case an extra one equivalent of base (DIPEA) may be used in the reaction. Alternatively, 2-methylmorpholine hydrochloride salt may be converted to 2-methylmorpholine free base by treatment with a suitable base (e.g. DIPEA) prior to being employed in the reaction. MS (+ve ion electrospray): m/z 276 [MH+]
	With phosphorus pentachloride; at 80 - 105℃;	The starting material Compound G was introduced in the reactor with POC13 and about 3 equivalents of PC15. In this case POC13 acted as solvent due to the very low solubility of Compound G in many organic solvents. The reaction temperature was increased from 80 C to 105 C in 3 hrs and then left at 105 C for additional 1-2 hrs. When the reaction completed, POC13 was distilled. Toluene was added to the residue and distilled in order to reduce the amount of POC13. Crude Compound F-i was distilled at around 7-8 mbar, with ajacketed temperature of about 130-13 5 C. Average yield 72% and average purity 94.9 % by GC-FID.

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[16]Patent: WO2010/97248,2010,A1 .Location in patent: Page/Page column 31.
[17]Patent: WO2007/24680,2007,A1 .Location in patent: Page/Page column 42.
[18]Patent: US2011/130415,2011,A1 .Location in patent: Page/Page column 41.
[19]Patent: US2012/22092,2012,A1 .Location in patent: Page/Page column 29.
[20]Bioorganic and Medicinal Chemistry,2013,vol. 21,p. 7025 - 7037.
[21]Patent: WO2016/116563,2016,A1 .Location in patent: Page/Page column 38-39.
[22]Patent: WO2019/213545,2019,A1 .Location in patent: Paragraph 0101.

8
2-(4-(pyrrolidin-1-yl)phenyl)ethanamine [ No CAS ]
[ 2972-52-3 ]
2,4-dichloro-pyrimidine-5-carboxylic acid [2-(4-pyrrolidin-1-yl-phenyl)-ethyl]-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

9
2-[4-(2-imidazol-1-yl-ethoxy)-phenyl]-ethylamine [ No CAS ]
[ 2972-52-3 ]
2,4-dichloro-pyrimidine-5-carboxylic acid {2-[4-(2-imidazol-1-yl-ethoxy)-phenyl]-ethyl}-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

10
2-[3-(2-imidazol-1-yl-ethoxy)-phenyl]-ethylamine [ No CAS ]
[ 2972-52-3 ]
2,4-dichloro-pyrimidine-5-carboxylic acid {2-[3-(2-imidazol-1-yl-ethoxy)-phenyl]-ethyl}-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

11
2-(4-(4-methylpiperazin-1-yl)phenyl)ethanamine [ No CAS ]
[ 2972-52-3 ]
2,4-dichloro-pyrimidine-5-carboxylic acid {2-[4-(4-methyl-piperazin-1-yl)-phenyl]-ethyl}-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

12
2-[3-(4-methyl-piperazin-1-yl)-phenyl]-ethylamine [ No CAS ]
[ 2972-52-3 ]
2,4-dichloro-pyrimidine-5-carboxylic acid {2-[3-(4-methyl-piperazin-1-yl)-phenyl]-ethyl}-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

13
2-[4-(1-methyl-piperidin-4-yloxy)-phenyl]-ethylamine [ No CAS ]
[ 2972-52-3 ]
2,4-dichloro-pyrimidine-5-carboxylic acid {2-[4-(1-methyl-piperidin-4-yloxy)-phenyl]-ethyl}-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

14
2-[3-(2-imidazol-1-yl-ethoxy)-4-methoxy-phenyl]-ethylamine [ No CAS ]
[ 2972-52-3 ]
2,4-dichloro-pyrimidine-5-carboxylic acid {2-[3-(2-imidazol-1-yl-ethoxy)-4-methoxy-phenyl]-ethyl}-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

15
2-[4-(4-methyl-piperazin-1-ylmethyl)-phenyl]-ethylamine [ No CAS ]
[ 2972-52-3 ]
2,4-dichloro-pyrimidine-5-carboxylic acid {2-[4-(4-methyl-piperazin-1-ylmethyl)-phenyl]-ethyl}-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

16
[ 2972-52-3 ]
2-chloro-4-(2,2-dimethyl-propylamino)-pyrimidine-5-carboxylic acid [2-(3-methoxy-phenyl)-ethyl]-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

17
[ 2972-52-3 ]
2-chloro-4-(2,2-dimethyl-propylamino)-pyrimidine-5-carboxylic acid [2-(4-methoxy-phenyl)-ethyl]-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

18
[ 2972-52-3 ]
[ 927177-00-2 ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

19
[ 2972-52-3 ]
2-cyano-4-(2,2-dimethyl-propylamino)-pyrimidine-5-carboxylic acid [2-(4-methoxy-phenyl)-ethyl]-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

20
[ 2972-52-3 ]
2-cyano-4-(2,2-dimethyl-propylamino)-pyrimidine-5-carboxylic acid [2-(3-methoxy-phenyl)-ethyl]-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

21
[ 2972-52-3 ]
2-cyano-4-cyclohexylamino-pyrimidine-5-carboxylic acid phenethyl-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

22
[ 2972-52-3 ]
2-chloro-4-cyclohexylamino-pyrimidine-5-carboxylic acid [2-(3-methoxy-phenyl)-ethyl]-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

23
[ 2972-52-3 ]
2-chloro-4-cyclohexylamino-pyrimidine-5-carboxylic acid [2-(4-methoxy-phenyl)-ethyl]-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

24
[ 2972-52-3 ]
2-cyano-4-cyclohexylamino-pyrimidine-5-carboxylic acid [2-(4-methoxy-phenyl)-ethyl]-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

25
[ 2972-52-3 ]
2-cyano-4-cyclohexylamino-pyrimidine-5-carboxylic acid [2-(3-methoxy-phenyl)-ethyl]-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

26
[ 2972-52-3 ]
2-chloro-4-(2,2-dimethyl-propylamino)-pyrimidine-5-carboxylic acid {2-[4-(2-imidazol-1-yl-ethoxy)-phenyl]-ethyl}-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

27
[ 2972-52-3 ]
2-chloro-4-(2,2-dimethyl-propylamino)-pyrimidine-5-carboxylic acid [2-(4-pyrrolidin-1-yl-phenyl)-ethyl]-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

28
[ 2972-52-3 ]
2-chloro-4-(2,2-dimethyl-propylamino)-pyrimidine-5-carboxylic acid {2-[3-(2-imidazol-1-yl-ethoxy)-phenyl]-ethyl}-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

29
[ 2972-52-3 ]
2-cyano-4-(2,2-dimethyl-propylamino)-pyrimidine-5-carboxylic acid [2-(4-pyrrolidin-1-yl-phenyl)-ethyl]-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

30
[ 2972-52-3 ]
2-chloro-4-(2,2-dimethyl-propylamino)-pyrimidine-5-carboxylic acid {2-[4-(4-methyl-piperazin-1-yl)-phenyl]-ethyl}-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

31
[ 2972-52-3 ]
2-cyano-4-(2,2-dimethyl-propylamino)-pyrimidine-5-carboxylic acid {2-[4-(2-imidazol-1-yl-ethoxy)-phenyl]-ethyl}-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

32
[ 2972-52-3 ]
2-chloro-4-(2,2-dimethyl-propylamino)-pyrimidine-5-carboxylic acid {2-[3-(4-methyl-piperazin-1-yl)-phenyl]-ethyl}-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

33
[ 2972-52-3 ]
2-cyano-4-(2,2-dimethyl-propylamino)-pyrimidine-5-carboxylic acid {2-[3-(2-imidazol-1-yl-ethoxy)-phenyl]-ethyl}-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

34
[ 2972-52-3 ]
2-chloro-4-(2,2-dimethyl-propylamino)-pyrimidine-5-carboxylic acid {2-[4-(1-methyl-piperidin-4-yloxy)-phenyl]-ethyl}-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

35
[ 2972-52-3 ]
2-cyano-4-(2,2-dimethyl-propylamino)-pyrimidine-5-carboxylic acid {2-[4-(1-methyl-piperidin-4-yloxy)-phenyl]-ethyl}-amide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 591 - 594.

Historical Records

Technical Information

• Acyl Group Substitution • Alkyl Halide Occurrence • Catalytic Hydrogenation • Complex Metal Hydride Reductions • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Hydride Reductions • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Preparation of Aldehydes and Ketones • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Rosenmund Reduction • Specialized Acylation Reagents-Ketenes • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling

Related Functional Groups of
[ 2972-52-3 ]

Chlorides

A104459 [50270-27-4]

2,4,6-Trichloropyrimidine-5-carbaldehyde

Similarity: 0.79

A375977 [1240390-28-6]

2,4-Dichloropyrimidine-5-carboxylic acid amide

Similarity: 0.78

A231363 [1780-31-0]

2,4-Dichloro-5-methylpyrimidine

Similarity: 0.78

A109465 [3177-20-6]

Methyl 2,4-dichloropyrimidine-5-carboxylate

Similarity: 0.73

A224019 [5305-40-8]

4,6-Dichloropyrimidine-5-carbaldehyde

Similarity: 0.73

Acyl Chlorides

A667403 [N/A]

2-Chloropyrimidine-4-carbonyl chloride-Deleted-NAME

Similarity: 0.57

A333307 [58757-38-3]

6-Chloronicotinoyl chloride

Similarity: 0.55

A243322 [26830-94-4]

2,6-Dichloropyrimidine-4-carbonyl chloride

Similarity: 0.54

Related Parent Nucleus of
[ 2972-52-3 ]

Pyrimidines

A104459 [50270-27-4]

2,4,6-Trichloropyrimidine-5-carbaldehyde

Similarity: 0.79

A375977 [1240390-28-6]

2,4-Dichloropyrimidine-5-carboxylic acid amide

Similarity: 0.78

A231363 [1780-31-0]

2,4-Dichloro-5-methylpyrimidine

Similarity: 0.78

A109465 [3177-20-6]

Methyl 2,4-dichloropyrimidine-5-carboxylate

Similarity: 0.73

A224019 [5305-40-8]

4,6-Dichloropyrimidine-5-carbaldehyde

Similarity: 0.73

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

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CAS No.: 2972-52-3

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