2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride

HCID 2736708

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Basic information

CAS: 154934-99-3
Standard SMILES: O=C(Cl)c1cnc(Cl)nc1C(F)(F)F
InChIKey: BTRSILVUNQWNDR-UHFFFAOYSA-N
Molecular formula: C6HCl2F3N2O
Average molar mass: 244.98 g/mol
Monoisotopic mass: 243.94180267

Names & identifiers

Preferred name: 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
IUPAC: 2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
English name: 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
Molecular formula: C6HCl2F3N2O
Molecular weight: 244.99

Names & synonyms

2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride154934-99-32-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonylchlorideMFCD00173789C6HCl2F3N2OSCHEMBL79014DTXSID80371543SBB067930AKOS015853170PS-10730DB-008807F008268

Show more names

BUTTPARK 37\18-312-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl5-Pyrimidinecarbonyl chloride, 2-chloro-4-(trifluoromethyl)-2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonylchloride97%2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride 97%

2-chloro-4-trifluoromethyl-pyrimidin-5-carbonyl chloride2-chloro-4-trifluoromethylpyrimidine-5-carbonyl chloride2-chloro-4-(trifluoromethyl)-5-pyrimidinecarbonyl chloride2-chloro-4-trifluoromethyl-pyrimidine-5-carbonyl chloride2-CHLORO-4-TRIFLUOROMETHYL-5-PYRIMIDINE CARBONYL CHLORIDE

Database identifiers

CAS: 154934-99-3
PubChem CID: 2736708
DTXSID: DTXSID80371543
EC Number: 672-004-6

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 42.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 236

Physicochemical properties

Melting point: 158 °C · 158 °C
Boiling point: 54 °C · 54°C 0,15mm
Density: 1.658 · 1.658±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: liquid
pka: -6.23 · -6.23±0.29(Predicted)
color: Clear, dark yellow
CAS DataBase Reference: 154934 · 154934-99-3(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H312-H314-H332
Precautionary statements: 280 · P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 3265 · 3265
HazardClass: CORROSIVE
HS Code: 29335990 · 29335990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

ridadr: 3265
hs_code: 29335990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-36/37/39
hazard_class: CORROSIVE
Hazard statements: H302-H312-H314-H332
Precautionary statements: P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310

Chemistry & industry

Applications

Uses2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl Chloride can be used to treat Rett Syndrome, acute coronary syndrome and related conditions. It can also be utilized in agrochemical anti-microbial agents.