5-Chloro-2-fluorobenzoyl chloride

C7H3Cl2FOCAS 394-29-6193.00 g/mol

Open in Covalent MOL file
OClClF
Acyl halideAryl halide

Properties

Molecular formula
C7H3Cl2FO
Molar mass
193.00 g/mol
Exact mass
191.9545 Da
Boiling point
103–104 °C (at 15 Torr)
logP
2.86Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
394-29-6
SMILES
O=C(Cl)c1cc(Cl)ccc1F
InChIKey
VWGAATKTEAKOCO-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2FO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H

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Names and synonyms

2 names
  • Benzoyl chloride, 5-chloro-2-fluoro-
  • 3-Chloro-6-fluorobenzoyl chloride

Work with 5-Chloro-2-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

2,5-Difluorobenzoyl chloride35730-09-766 % similar 2,5-Dichlorobenzoyl chloride2905-61-563 % similar 2-Fluoro-5-iodobenzoyl chloride186584-73-662 % similar 5-Chloro-2-fluorobenzoic acid394-30-962 % similar 2-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-260 % similar 2,4,5-Trifluorobenzoyl chloride88419-56-158 % similar 2,4-Dichlorobenzoyl chloride89-75-858 % similar 2-Fluorobenzoyl chloride393-52-256 % 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 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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