1-(2-Bromoethyl)-4-chlorobenzene

C₈H₈BrClCAS 6529-53-9219.51 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₈BrCl
Molar mass: 219.51 g/mol
Exact mass: 217.9498 Da
Boiling point: 120–121 °C (at 8 Torr)
logP: 3.28Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

6529-53-9

SMILES

Clc1ccc(CCBr)cc1

InChIKey

YAFMYKFAUNCQPU-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrCl/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

8 names

Benzene, 1-(2-bromoethyl)-4-chloro-
p-Chlorophenethyl bromide
p-Chloro-β-phenethyl bromide
4-Chlorophenethyl bromide
2-(p-Chlorophenyl)ethyl bromide
1-Bromo-2-(4-chlorophenyl)ethane
1-Chloro-4-(2-bromoethyl)benzene
2-(4-Chlorophenyl)ethyl bromide

Work with 1-(2-Bromoethyl)-4-chlorobenzene

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

4-Chlorobenzyl bromide622-95-761 % similar 2-Phenylethyl bromide103-63-952 % similar 2-(4-Chlorophenyl)ethylamine156-41-252 % similar 4-Chlorobenzeneethanol1875-88-352 % similar 4-Chlorobenzyl chloride104-83-650 % similar 1-(2-Bromoethoxy)-4-chlorobenzene2033-76-350 % similar 1-Butyl-4-chlorobenzene15499-27-148 % similar 4-Chlorobenzylamine104-86-948 % similar

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

Same formula

1-(2-Bromoethyl)-2-chlorobenzene16793-91-2

Elsewhere

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