2,4-Dichlorophenacyl bromide

C₈H₅BrCl₂OCAS 2631-72-3267.93 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
Melting point: 30–32 °C
Boiling point: 103–106 °C (at 0.4 Torr)
logP: 3.57Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed95.2% of notifiers
H315 Causes skin irritation92.9% of notifiers
H318 Causes serious eye damage95.2% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2631-72-3

SMILES

O=C(CBr)c1ccc(Cl)cc1Cl

InChIKey

DASJDMQCPIDJIF-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

11 names

Ethanone, 2-bromo-1-(2,4-dichlorophenyl)-
Acetophenone, 2-bromo-2′,4′-dichloro-
2-Bromo-1-(2,4-dichlorophenyl)ethanone
2-Bromo-2′,4′-dichloroacetophenone
ω-Bromo-2,4-dichloroacetophenone
2′,4′-Dichloro-2-bromoacetophenone
α-Bromo-2,4-dichloroacetophenone
2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one
2,4-Dichlorophenyl bromomethyl ketone
Bromomethyl 2,4-dichlorophenyl ketone
α-Bromo-2′,4′-dichloroacetophenone

Work with 2,4-Dichlorophenacyl bromide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Bromo-2',4'-dichloroacetophenone170894-53-8

Similar compounds

2,2′,4′-Trichloroacetophenone4252-78-268 % similar 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-867 % similar 2-Amino-2',4'-dichloroacetophenone313553-17-266 % similar 2',4'-Dichloropropiophenone37885-41-966 % similar 2',4'-Dichlorobutyrophenone66353-47-762 % similar 1-(2,4-Dichlorophenyl)-1-pentanone61023-66-359 % similar 2′-Bromo-4-chloroacetophenone536-38-956 % similar 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-1-(3,4-dichlorophenyl)ethanone2632-10-2 2-Bromo-1-(2,5-dichlorophenyl)ethanone4571-25-9

Elsewhere

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