chempirical

3,4-Dichlorobenzyl bromide

C7H5BrCl2CAS 18880-04-1239.92 g/mol

Open in Covalent MOL file
ClBrCl
Alkyl halideAryl halide

Properties

Molecular formula
C7H5BrCl2
Molar mass
239.92 g/mol
Exact mass
237.8952 Da
logP
3.89Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
18880-04-1
SMILES
Clc1ccc(CBr)cc1Cl
InChIKey
XLWSBDFQAJXCQX-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrCl2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 4-(bromomethyl)-1,2-dichloro-
  • Toluene, α-bromo-3,4-dichloro-
  • 4-(Bromomethyl)-1,2-dichlorobenzene
  • 4-Bromomethyl-1,2-dichlorobenzene
  • 1-Bromomethyl-3,4-dichlorobenzene
  • 1,2-Dichloro-4-(bromomethyl)benzene

Work with 3,4-Dichlorobenzyl 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

4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-364 % similar 3,4-Dichlorobenzyl chloride102-47-658 % similar 3,4-Dichlorobenzenemethanamine102-49-856 % similar 3,4-Dichlorobenzenemethanol1805-32-956 % similar 1,3-Bis(bromomethyl)benzene626-15-354 % similar 4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene261763-18-253 % similar 3,4-Dichlorobenzeneacetonitrile3218-49-350 % similar 4-Chlorobenzyl bromide622-95-750 % similar

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

Same formula

2,6-Dichlorobenzyl bromide20443-98-5 2,4-Dichlorobenzyl bromide20443-99-6 2-Bromo-1,3-dichloro-4-methylbenzene206559-41-3

Elsewhere

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