2,6-Dichlorobenzoyl chloride

C7H3Cl3OCAS 4659-45-4209.45 g/mol

Open in Covalent MOL file
OClClCl
Acyl halideAryl halide

Properties

Molecular formula
C7H3Cl3O
Molar mass
209.45 g/mol
Exact mass
207.9249 Da
Melting point
208–210 °C
Boiling point
92–103 °C (at 0.7 Torr)
logP
3.37Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 87 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
4659-45-4
SMILES
O=C(Cl)c1c(Cl)cccc1Cl
InChIKey
JBLIDPPHFGWTKU-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl3O/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H

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Names and synonyms

1 names
  • Benzoyl chloride, 2,6-dichloro-

Work with 2,6-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-Chloro-6-fluorobenzoyl chloride79455-63-370 % similar 2,4,6-Trichlorobenzoyl chloride4136-95-268 % similar 2-Chlorobenzoyl chloride609-65-462 % similar Isophthaloyl chloride99-63-856 % similar 2,6-Difluorobenzoyl chloride18063-02-056 % similar 3-Chloro-2-fluorobenzoyl chloride85345-76-253 % similar 2′,6′-Dichloroacetophenone2040-05-352 % similar 2,6-Dichlorobenzoic acid50-30-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,6-Trichlorobenzaldehyde24473-00-5 2,3-Dichlorobenzoyl chloride2905-60-4 2,5-Dichlorobenzoyl chloride2905-61-5 3,5-Dichlorobenzoyl chloride2905-62-6 3,4-Dichlorobenzoyl chloride3024-72-4 2,3,6-Trichlorobenzaldehyde4659-47-6 2,3,5-Trichlorobenzaldehyde56961-75-2 2,4-Dichlorobenzoyl chloride89-75-8

Elsewhere

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