2-Bromo-1-(3,4-dichlorophenyl)ethanone

C₈H₅BrCl₂OCAS 2632-10-2267.93 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₈H₅BrCl₂O
Molar mass: 267.93 g/mol
Exact mass: 265.8901 Da
logP: 3.57Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed85.4% of notifiers
H314 Causes severe skin burns and eye damage14.6% of notifiers
H319 Causes serious eye irritation85.4% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P337+P317, P363, P405, P501

Identifiers

CAS number

2632-10-2

SMILES

C1=CC(=C(C=C1C(=O)CBr)Cl)Cl

InChIKey

PAKFHEFMTRCFAU-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrCl2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2

Weigh it out

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

Names and synonyms

1 names

3,4-Dichlorophenacyl bromide

Work with 2-Bromo-1-(3,4-dichlorophenyl)ethanone

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-Chloro-1-(3,4-dichlorophenyl)ethanone42981-08-866 % similar 1-(3,4-Dichlorophenyl)-1-propanone6582-42-964 % similar 1-(4-Amino-3,5-dichlorophenyl)-2-bromoethanone37148-47-362 % similar 2′-Bromo-4-chloroacetophenone536-38-959 % similar 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-259 % similar 2-(3,4-Dichlorophenyl)-2-oxoethylamine hydrochloride41995-19-158 % similar 3,4-Dichlorobenzoylacetonitrile4640-68-058 % similar 3-Bromophenacyl bromide18523-22-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-2',4'-dichloroacetophenone170894-53-8 2,4-Dichlorophenacyl bromide2631-72-3 2-Bromo-1-(2,5-dichlorophenyl)ethanone4571-25-9

Elsewhere

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