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

Hazards

Danger

H290 May be corrosive to metals25% of notifiers
H302 Harmful if swallowed25% of notifiers
H314 Causes severe skin burns and eye damage75% of notifiers
H318 Causes serious eye damage25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P390, P403+P233, P405, P406, P501

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

2-Chloro-5-fluorobenzoyl chloride21900-51-663 % similar 5-Chloro-2-fluorobenzoyl chloride394-29-663 % similar 2-Chlorobenzoyl chloride609-65-462 % similar 2,5-Dichlorobenzoic acid50-79-361 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-159 % similar 4-Chloro-2-fluorobenzoyl chloride394-39-858 % similar 5-Chloro-2-methoxybenzoyl chloride29568-33-057 % similar 2-Chloro-5-(trifluoromethyl)benzoyl chloride657-05-657 % 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 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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