3-Chloro-4-fluorobenzoyl chloride

C₇H₃Cl₂FOCAS 65055-17-6193.00 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

H290 May be corrosive to metals14.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number

65055-17-6

SMILES

C1=CC(=C(C=C1C(=O)Cl)Cl)F

InChIKey

DLZUHSFUBZTBQZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-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

3,4-Difluorobenzoyl chloride76903-88-370 % similar 3,4-Dichlorobenzoyl chloride3024-72-467 % similar 3-Chloro-4-fluorobenzamide701-43-964 % similar 3'-Chloro-4'-fluoroacetophenone2923-66-262 % similar 3-Chloro-4-fluorobenzoic acid403-16-762 % similar 4-Fluoro-3-methylbenzoyl chloride455-84-562 % similar 3-Bromo-4-fluorobenzoyl chloride672-75-362 % similar 4-Fluoro-3-(trifluoromethyl)benzoyl chloride67515-56-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5-fluorobenzoyl chloride21900-51-6 2-Chloro-4-fluorobenzoyl chloride21900-54-9 5-Chloro-2-fluorobenzoyl chloride394-29-6 4-Chloro-2-fluorobenzoyl chloride394-39-8 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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