2-Chloro-4-fluorobenzoyl chloride

C₇H₃Cl₂FOCAS 21900-54-9193.00 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₃Cl₂FO
Molar mass: 193.00 g/mol
Exact mass: 191.9545 Da
logP: 2.86Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed87% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage89.1% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number

21900-54-9

SMILES

C1=CC(=C(C=C1F)Cl)C(=O)Cl

InChIKey

POIAZJJVWRVLBO-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl2FO/c8-6-3-4(10)1-2-5(6)7(9)11/h1-3H

Weigh it out

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

Work with 2-Chloro-4-fluorobenzoyl 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

2-Chloro-4-fluorobenzamide88578-90-967 % similar 2,4-Difluorobenzoyl chloride72482-64-566 % similar 2,4-Dichlorobenzoyl chloride89-75-863 % similar 2-Chloro-4-fluorobenzoic acid2252-51-962 % similar 1-(2-Chloro-4-fluorophenyl)ethanone700-35-662 % similar 2,5-Difluorobenzoyl chloride35730-09-761 % similar 4-Fluoro-2-(trifluoromethyl)benzoyl chloride189807-21-458 % similar 2-Chlorobenzoyl chloride609-65-458 % similar

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

Same formula

2-Chloro-5-fluorobenzoyl chloride21900-51-6 5-Chloro-2-fluorobenzoyl chloride394-29-6 4-Chloro-2-fluorobenzoyl chloride394-39-8 3-Chloro-4-fluorobenzoyl chloride65055-17-6 2,4-Dichloro-6-fluorobenzaldehyde681435-09-6 2-Chloro-6-fluorobenzoyl chloride79455-63-3 3-Chloro-2-fluorobenzoyl chloride85345-76-2

Elsewhere

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