chempirical

4-Bromobenzyl chloride

C7H6BrClCAS 589-17-3205.48 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
236 °C
logP
3.19Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
589-17-3
SMILES
ClCc1ccc(Br)cc1
InChIKey
BSIIGUGKOPPTPZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrCl/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 1-bromo-4-(chloromethyl)-
  • Toluene, p-bromo-α-chloro-
  • 1-Bromo-4-(chloromethyl)benzene
  • p-Bromobenzyl chloride
  • p-Bromo-α-chlorotoluene
  • α-Chloro-4-bromotoluene

Work with 4-Bromobenzyl chloride

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Xylylene dichloride623-25-667 % similar 4,4′-Bis(chloromethyl)biphenyl1667-10-357 % similar 4-Chlorobenzyl chloride104-83-652 % similar 4-Fluorobenzyl chloride352-11-452 % similar 4-Bromobenzyl bromide589-15-152 % similar Benzyl chloride100-44-750 % similar 4-Methylbenzyl chloride104-82-550 % similar 1,4-Dibromobenzene106-37-650 % 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 2-Chlorobenzyl bromide611-17-6 4-Chlorobenzyl bromide622-95-7 2-Bromo-6-chlorotoluene62356-27-8 3-Chlorobenzyl bromide766-80-3

Elsewhere

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