4-Chlorobenzeneacetyl chloride

C₈H₆Cl₂OCAS 25026-34-0189.03 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₈H₆Cl₂O
Molar mass: 189.03 g/mol
Exact mass: 187.9796 Da
Boiling point: 115 °C (at 16 Torr)
logP: 2.65Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed97.9% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction89.4% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

25026-34-0

SMILES

O=C(Cl)Cc1ccc(Cl)cc1

InChIKey

UMQUIRYNOVNYPA-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Cl2O/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2

Weigh it out

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

Names and synonyms

6 names

Benzeneacetyl chloride, 4-chloro-
Acetyl chloride, (p-chlorophenyl)-
(p-Chlorophenyl)acetyl chloride
(4-Chlorophenyl)acetyl chloride
2-(4-Chlorophenyl)acetyl chloride
4-Chlorophenylacetyl chloride

Work with 4-Chlorobenzeneacetyl 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

Phenylacetyl chloride103-80-063 % similar 4-Bromophenylacetyl chloride37859-24-862 % similar 2-(4-Fluorophenyl)acetyl chloride459-04-162 % similar (4-Chlorophenyl)acetic acid1878-66-657 % similar 1-(p-Chlorophenyl)acetone5586-88-957 % similar 4-Methoxybenzeneacetyl chloride4693-91-856 % similar 2-Naphthaleneacetyl chloride37859-25-952 % similar Methyl 4-chlorobenzeneacetate52449-43-152 % similar

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

Same formula

3',5'-Dichloroacetophenone14401-72-0 2′,6′-Dichloroacetophenone2040-05-3 2,3'-Dichloroacetophenone21886-56-6 2',4'-Dichloroacetophenone2234-16-4 1-(2,5-Dichlorophenyl)ethanone2476-37-1 3′,4′-Dichloroacetophenone2642-63-9 2,2-Dichloroacetophenone2648-61-5 α-Chlorobenzeneacetyl chloride2912-62-1

Elsewhere

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