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

C₆HCl₂F₃N₂OCAS 154934-99-3244.98 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide Aryl halide

Properties

Molecular formula: C₆HCl₂F₃N₂O
Molar mass: 244.98 g/mol
Exact mass: 243.9418 Da
Melting point: 158 °C
logP: 2.53Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

154934-99-3

SMILES

O=C(Cl)c1cnc(Cl)nc1C(F)(F)F

InChIKey

BTRSILVUNQWNDR-UHFFFAOYSA-N

InChI

InChI=1S/C6HCl2F3N2O/c7-4(14)2-1-12-5(8)13-3(2)6(9,10)11/h1H

Weigh it out

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

Names and synonyms

5 names

2-Chloro-4-(trifluoromethyl)-5-pyrimidinecarbonyl chloride
5-Pyrimidinecarbonyl chloride, 2-chloro-4-(trifluoromethyl)-
2-Chloro-4-trifluoromethyl-5-pyrimidinecarboxylic acid chloride
2-Chloro-4-trifluoromethylpyrimidine-5-carboxylic acid
2-Chloro-4-trifluoromethylpyrimidine-5-carbonyl chloride

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

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

Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate175137-27-661 % similar 2,4-Dichloropyrimidine-5-carbonyl chloride2972-52-358 % similar Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate187035-79-657 % similar Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate175137-29-852 % similar 4-Chlorobenzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate175137-30-151 % similar 2,4-Dichloro-5-(trifluoromethyl)pyrimidine3932-97-645 % similar 6-(Trifluoromethyl)nicotinoyl chloride358780-13-943 % similar 2-(Trifluoromethyl)benzoyl chloride312-94-743 % similar

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

Elsewhere

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