2,3-Dichlorobenzoyl chloride

C₇H₃Cl₃OCAS 2905-60-4209.45 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₃Cl₃O
Molar mass: 209.45 g/mol
Exact mass: 207.9249 Da
Boiling point: 55–58 °C (at 0.32 Torr)
logP: 3.37Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed86.7% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H400 Very toxic to aquatic life86.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects86.7% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, P501

Identifiers

CAS number

2905-60-4

SMILES

O=C(Cl)c1cccc(Cl)c1Cl

InChIKey

YBONBWJSFMTXLE-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H

Weigh it out

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

Names and synonyms

1 names

Benzoyl chloride, 2,3-dichloro-

Work with 2,3-Dichlorobenzoyl 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-Chlorobenzoyl chloride609-65-470 % similar 3-Chloro-2-fluorobenzoyl chloride85345-76-261 % similar 2,3,4,5-Tetrachlorobenzoyl chloride42221-52-360 % similar 2,3-Dichlorobenzoic acid50-45-358 % similar 1-(2,3-Dichlorophenyl)ethanone56041-57-758 % similar Phthaloyl chloride88-95-958 % similar Methyl 2,3-dichlorobenzoate2905-54-653 % similar (2,3-Dichlorophenyl)oxoacetonitrile77668-42-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,6-Trichlorobenzaldehyde24473-00-5 2,5-Dichlorobenzoyl chloride2905-61-5 3,5-Dichlorobenzoyl chloride2905-62-6 3,4-Dichlorobenzoyl chloride3024-72-4 2,6-Dichlorobenzoyl chloride4659-45-4 2,3,6-Trichlorobenzaldehyde4659-47-6 2,3,5-Trichlorobenzaldehyde56961-75-2 2,4-Dichlorobenzoyl chloride89-75-8

Elsewhere

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