4-Chloro-2-phenyl-6-(trifluoromethyl)pyrimidine

HCID 614101

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Basic information

CAS: 184109-83-9
Standard SMILES: FC(F)(F)c1cc(Cl)nc(-c2ccccc2)n1
InChIKey: CWZUWJRMFIDBRA-UHFFFAOYSA-N
Molecular formula: C11H6ClF3N2
Average molar mass: 258.62 g/mol

Names & identifiers

Preferred name: 4-Chloro-2-phenyl-6-(trifluoromethyl)pyrimidine
IUPAC: 4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine
English name: 4-Chloro-2-phenyl-6-trifluoroMethyl-pyriMidine
Molecular formula: C11H6ClF3N2
Molecular weight: 258.63

Names & synonyms

4-Chloro-2-phenyl-6-(trifluoromethyl)pyrimidine184109-83-9RefChem:521162871-894-5MFCD00559594Pyrimidine, 4-chloro-2-phenyl-6-(trifluoromethyl)-CBDivE_016295SCHEMBL5476158HMS1578M15JHA10983AKOS021982848BS-4749

Show more names

4-Chloro-2-phenyl-6-trifluoroMethyl-pyriMidine

SB58911SY092455CS-03092154-Chloro-6-trifluoromethyl-2-phenylpyrimidineG54287AB00075406-01EN300-16979954-Chloro-2-phenyl-6-(trifluoromethyl)pyrimidine #

Database identifiers

CAS: 184109-83-9
PubChem CID: 614101
EC Number: 871-894-5
Nikkaji: J530.424E

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 254

Physicochemical properties

Boiling point: 215.7 · 215.7±40.0 °C(Predicted)
Density: 1.385 · 1.385±0.06 g/cm3(Predicted)
pka: -5.11 · -5.11±0.32(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H302-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H302-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P