3,5-Dichlorobenzoyl chloride

C₇H₃Cl₃OCAS 2905-62-6209.45 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: 71–75 °C (at 1 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 swallowed99.1% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage51.3% of notifiers
H335 May cause respiratory irritation38.1% of notifiers

Aggregated from 113 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P403+P233, P405, P501

Identifiers

CAS number

2905-62-6

SMILES

O=C(Cl)c1cc(Cl)cc(Cl)c1

InChIKey

GGHLXLVPNZMBQR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Benzoyl chloride, 3,5-dichloro-

Work with 3,5-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

Trimesoyl chloride4422-95-167 % similar 3-Chlorobenzoyl chloride618-46-265 % similar 4-Chlorobenzoyl chloride122-01-060 % similar Isophthaloyl chloride99-63-856 % similar 2,4,6-Trichlorobenzoyl chloride4136-95-256 % similar 2,6-Dichloro-isonicotinoyl chloride42521-08-456 % similar Terephthaloyl chloride100-20-952 % similar 3,5-Difluorobenzoyl chloride129714-97-252 % 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 3,4-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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