2,4,6-Trichlorobenzoyl chloride

C₇H₂Cl₄OCAS 4136-95-2243.89 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₂Cl₄O
Molar mass: 243.89 g/mol
Exact mass: 241.8860 Da
Melting point: 165–166 °C
Boiling point: 90–96 °C (at 0.7 Torr)
logP: 4.03Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage86% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

4136-95-2

SMILES

O=C(Cl)c1c(Cl)cc(Cl)cc1Cl

InChIKey

OZGSEIVTQLXWRO-UHFFFAOYSA-N

InChI

InChI=1S/C7H2Cl4O/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H

Weigh it out

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

Names and synonyms

2 names

Benzoyl chloride, 2,4,6-trichloro-
TCBC

Work with 2,4,6-Trichlorobenzoyl 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

2,6-Dichlorobenzoyl chloride4659-45-468 % similar 2,4-Dichlorobenzoyl chloride89-75-857 % similar 3,5-Dichlorobenzoyl chloride2905-62-656 % similar 2,4,6-Trichlorobenzoic acid50-43-155 % similar 2,5-Dichlorobenzoyl chloride2905-61-552 % similar 2-Chloro-6-fluorobenzoyl chloride79455-63-350 % similar 2-Chlorobenzoyl chloride609-65-447 % similar 2,3,5,6-Tetrachloro-1,4-benzenedicarbonyl dichloride719-32-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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