chempirical

2-Chlorobenzyl bromide

C7H6BrClCAS 611-17-6205.48 g/mol

Open in Covalent MOL file
ClBr
Alkyl halideAryl halide

Properties

Molecular formula
C7H6BrCl
Molar mass
205.48 g/mol
Exact mass
203.9341 Da
Melting point
83–84 °C
Boiling point
120 °C (at 10 Torr)
logP
3.23Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
611-17-6
SMILES
Clc1ccccc1CBr
InChIKey
PURSZYWBIQIANP-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrCl/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1-(bromomethyl)-2-chloro-
  • Toluene, α-bromo-o-chloro-
  • 1-(Bromomethyl)-2-chlorobenzene
  • o-Chlorobenzyl bromide
  • α-Bromo-o-chlorotoluene

Work with 2-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-(2-Bromoethyl)-2-chlorobenzene16793-91-262 % similar 2,4-Dichlorobenzyl bromide20443-99-659 % similar 2,6-Dichlorobenzyl bromide20443-98-558 % similar 2-Chlorobenzyl chloride611-19-856 % similar 2-(Bromomethyl)-1-chloro-4-fluorobenzene81778-09-855 % similar 2-Chlorobenzyl alcohol17849-38-654 % similar 2-Chlorobenzyl mercaptan39718-00-854 % similar 2-Chlorobenzylamine89-97-454 % 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 4-Chlorobenzyl bromide622-95-7 2-Bromo-6-chlorotoluene62356-27-8 3-Chlorobenzyl bromide766-80-3

Elsewhere

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