4-Chloro-6-trifluoromethylpyrimidine

C₅H₂ClF₃N₂CAS 37552-81-1182.53 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₅H₂ClF₃N₂
Molar mass: 182.53 g/mol
Exact mass: 181.9859 Da
logP: 2.15Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

37552-81-1

SMILES

C1=C(N=CN=C1Cl)C(F)(F)F

InChIKey

TYSPDLZOMUDHQZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H2ClF3N2/c6-4-1-3(5(7,8)9)10-2-11-4/h1-2H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4-Chloro-6-(trifluoromethyl)pyrimidine

Work with 4-Chloro-6-trifluoromethylpyrimidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,6-Dichloropyrimidine1193-21-154 % similar 2,4-Dichloro-6-(trifluoromethyl)pyrimidine16097-64-653 % similar 6-(Trifluoromethyl)pyrimidin-4-amine672-41-353 % similar 2-Trifluoromethyl-4-chloropyridine131748-14-647 % similar 2-Chloro-4-(trifluoromethyl)pyridine81565-18-647 % similar 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine16097-63-546 % similar 2-Chloro-6-(trifluoromethyl)pyridine39890-95-445 % similar 2-Chloro-4-iodo-6-(trifluoromethyl)pyridine205444-22-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-6-(trifluoromethyl)pyridazine258506-68-2 2-Chloro-4-(trifluoromethyl)pyrimidine33034-67-2 2-Chloro-5-(trifluoromethyl)pyrimidine69034-12-4 2-Chloro-5-(trifluoromethyl)pyrazine799557-87-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook