2-Chloro-4-(trifluoromethyl)pyrimidine

C₅H₂ClF₃N₂CAS 33034-67-2182.53 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

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

33034-67-2

SMILES

C1=CN=C(N=C1C(F)(F)F)Cl

InChIKey

FZRBTBCCMVNZBD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Chloro-4-(trifluoromethyl)pyrimidine

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

2-Amino-4-(trifluoromethyl)pyrimidine16075-42-657 % similar 2-Bromo-4-(trifluoro methyl)pryrimidine785777-87-957 % similar 2,6-Bis(trifluoromethyl)pyridine455-00-554 % similar 2-Hydrazino-4-(trifluoromethyl)pyrimidine197305-97-853 % similar 2-Trifluoromethyl-4-chloropyridine131748-14-652 % similar 2-Chloro-6-(trifluoromethyl)pyridine39890-95-450 % similar 2,4-Dichloro-6-(trifluoromethyl)pyrimidine16097-64-648 % similar 2,4-Dichloropyrimidine3934-20-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Chloro-6-(trifluoromethyl)pyridazine258506-68-2 4-Chloro-6-trifluoromethylpyrimidine37552-81-1 2-Chloro-5-(trifluoromethyl)pyrimidine69034-12-4 2-Chloro-5-(trifluoromethyl)pyrazine799557-87-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook