1-Bromo-3-(chloromethyl)benzene

C₇H₆BrClCAS 932-77-4205.48 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
logP: 3.19Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

932-77-4

SMILES

C1=CC(=CC(=C1)Br)CCl

InChIKey

UDKGXKYEWBGQCG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Bromobenzyl chloride

Work with 1-Bromo-3-(chloromethyl)benzene

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(chloromethyl)benzene626-16-465 % similar 3-Bromobenzyl bromide823-78-959 % similar 3-Bromobenzylamine10269-01-957 % similar 3-Bromobenzenemethanol15852-73-057 % similar 1-Bromo-3-ethylbenzene2725-82-857 % similar m,Alpha-Dichlorotoluene620-20-256 % similar 3-Fluorobenzyl chloride456-42-854 % similar 3-Bromophenethyl alcohol28229-69-853 % 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-Bromobenzyl chloride578-51-8 4-Bromobenzyl chloride589-17-3 2-Chlorobenzyl bromide611-17-6 4-Chlorobenzyl bromide622-95-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook