chempirical

4-Chlorobenzyl bromide

C7H6BrClCAS 622-95-7205.48 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
50 °C
Boiling point
86–90 °C (at 3 Torr)
logP
3.23Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
622-95-7
SMILES
Clc1ccc(CBr)cc1
InChIKey
KQNBRMUBPRGXSL-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrCl/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

Weigh it out

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Names and synonyms

6 names
  • Benzene, 1-(bromomethyl)-4-chloro-
  • Toluene, α-bromo-p-chloro-
  • 1-(Bromomethyl)-4-chlorobenzene
  • p-Chlorobenzyl bromide
  • α-Bromo-p-chlorotoluene
  • 1-Chloro-4-bromomethylbenzene

Work with 4-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

1,4-Bis(bromomethyl)benzene623-24-567 % similar 1-(2-Bromoethyl)-4-chlorobenzene6529-53-961 % similar 4-Chlorobenzyl chloride104-83-652 % similar 4-Bromobenzyl bromide589-15-152 % similar Benzyl bromide100-39-050 % similar 4-Methylbenzyl bromide104-81-450 % similar 4-Chlorobenzylamine104-86-950 % similar 1,4-Dichlorobenzene106-46-750 % 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 2-Bromo-6-chlorotoluene62356-27-8 3-Chlorobenzyl bromide766-80-3

Elsewhere

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