3-Chlorobenzyl bromide

C₇H₆BrClCAS 766-80-3205.48 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₆BrCl
Molar mass: 205.48 g/mol
Exact mass: 203.9341 Da
Melting point: 15 °C
Boiling point: 109 °C (at 10 Torr)
logP: 3.23Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

766-80-3

SMILES

Clc1cccc(CBr)c1

InChIKey

LZIYAIRGDHSVED-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrCl/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

Weigh it out

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

Names and synonyms

9 names

Benzene, 1-(bromomethyl)-3-chloro-
Toluene, α-bromo-m-chloro-
1-(Bromomethyl)-3-chlorobenzene
m-Chlorobenzyl bromide
α-Bromo-m-chlorotoluene
α-Bromo-3-chlorotoluene
NSC 60110
2-(Bromomethyl)-4-chlorobenzene
1-Chloro-3-bromomethylbenzene

Work with 3-Chlorobenzyl 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

Similar compounds

1,3-Bis(bromomethyl)benzene626-15-368 % similar 3-Chlorobenzyl chloride620-20-258 % similar 3-Chlorobenzylamine4152-90-356 % similar 3-Fluorobenzyl bromide456-41-756 % similar 3-Bromobenzyl bromide823-78-956 % similar 3-Chlorobenzyl alcohol873-63-256 % similar 3-Methylbenzyl bromide620-13-354 % similar 2-(3-Chlorophenyl)ethylamine13078-79-052 % similar

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

Same formula

1-Bromo-4-chloro-2-methylbenzene14495-51-3 2-Bromo-4-chloro-1-methylbenzene27139-97-5 5-Bromo-2-chlorotoluene54932-72-8 2-Bromo-1-chloro-4-methylbenzene57310-39-1 4-Bromobenzyl chloride589-17-3 2-Chlorobenzyl bromide611-17-6 4-Chlorobenzyl bromide622-95-7 2-Bromo-6-chlorotoluene62356-27-8

Elsewhere

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