2,5-Dichlorobenzoyl chloride

C₇H₃Cl₃OCAS 2905-61-5209.45 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: 126–130 °C (at 14 Torr)
logP: 3.37Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

2905-61-5

SMILES

O=C(Cl)c1cc(Cl)ccc1Cl

InChIKey

RSINFFVFOTUDEC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzoyl chloride, 2,5-dichloro-
NSC 41887
2,5-Dichlorobenzoic acid chloride

Work with 2,5-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

5-Chloro-2-fluorobenzoyl chloride394-29-663 % similar 2,5-Dichlorobenzoic acid50-79-361 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-159 % similar 4-Chloro-2-fluorobenzoyl chloride394-39-858 % similar 2,5-Dichlorobenzophenone16611-67-954 % similar Methyl 2,5-dichlorobenzoate2905-69-354 % similar 2-Bromo-1-(2,5-dichlorophenyl)ethanone4571-25-954 % similar 2-Chloro-5-nitrobenzoyl chloride25784-91-254 % similar

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

Same formula

2,3-Dichlorobenzoyl chloride2905-60-4 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

PubChem CAS Common Chemistry NIST WebBook