2,3,4,5-Tetrachlorobenzoyl chloride

C₇HCl₅OCAS 42221-52-3278.33 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇HCl₅O
Molar mass: 278.33 g/mol
Exact mass: 275.8470 Da
logP: 4.68Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin

Harmonised EU classification (CLP Annex VI, index 607-339-00-9), via PubChem.

Precautionary statements

P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

42221-52-3

SMILES

O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl

InChIKey

IROWIXYGGPOJFJ-UHFFFAOYSA-N

InChI

InChI=1S/C7HCl5O/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H

Weigh it out

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

Names and synonyms

1 names

Benzoyl chloride, 2,3,4,5-tetrachloro-

Work with 2,3,4,5-Tetrachlorobenzoyl 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

2,3-Dichlorobenzoyl chloride2905-60-460 % similar 2,3,4,5-Tetrachlorobenzoic acid50-74-858 % similar 2-Chlorobenzoyl chloride609-65-453 % similar 2,5-Dichlorobenzoyl chloride2905-61-548 % similar 2,4-Dichlorobenzoyl chloride89-75-848 % similar Pentachlorobenzene608-93-548 % similar 4-Chloro-2,5-difluorobenzoyl chloride132794-08-247 % similar 3-Chloro-2-fluorobenzoyl chloride85345-76-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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