α-Chlorobenzeneacetyl chloride

C₈H₆Cl₂OCAS 2912-62-1189.04 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₈H₆Cl₂O
Molar mass: 189.04 g/mol
Exact mass: 187.9796 Da
Melting point: 285 °C
Boiling point: 118 °C (at 24 Torr)
logP: 2.73Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

2912-62-1

SMILES

O=C(Cl)C(Cl)c1ccccc1

InChIKey

FGEAOSXMQZWHIQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

Benzeneacetyl chloride, α-chloro-
Acetyl chloride, chlorophenyl-
2-Chloro-2-phenylacetyl chloride
Chlorophenylacetyl chloride
α-Chlorophenylacetyl chloride
α-Chloro-α-phenylacetyl chloride
Phenyl(chloro)acetyl chloride
(±)-2-Chloro-2-phenylacetyl chloride
2-Phenyl-2-chloroacetyl chloride
Chloro(phenyl)acetyl chloride

Work with α-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

Diphenylacetyl chloride1871-76-765 % similar Desyl chloride447-31-455 % similar Chloro(phenyl)acetic acid4755-72-055 % similar α-Ethylbenzeneacetyl chloride36854-57-653 % similar D-(-)-2-Amino-2-phenylacetyl chloride hydrochloride39878-87-053 % similar O-Formyl-D-mandeloyl chloride29169-64-052 % similar 1-(Chloroformyl)benzyl acetate1638-63-749 % similar Ethyl α-chlorobenzeneacetate4773-33-546 % 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 4-Chlorobenzeneacetyl chloride25026-34-0 3′,4′-Dichloroacetophenone2642-63-9 2,2-Dichloroacetophenone2648-61-5

Elsewhere

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