2-Bromobenzyl chloride

C₇H₆BrClCAS 578-51-8205.48 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

578-51-8

SMILES

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

InChIKey

DDVSFIUKWUTKES-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrCl/c8-7-4-2-1-3-6(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

1-Bromo-2-(chloromethyl)benzene

Work with 2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

α,α′-Dichloro-o-xylene612-12-465 % similar 2-Bromobenzyl bromide3433-80-554 % similar 2-Bromobenzyl mercaptan143888-85-152 % similar 2-Bromobenzyl alcohol18982-54-252 % similar 1-Bromo-2-ethylbenzene1973-22-452 % similar 2-Bromobenzylamine3959-05-552 % similar 2-Chlorobenzyl chloride611-19-852 % similar 2-Bromodiphenylmethane23450-18-250 % 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 4-Chlorobenzyl bromide622-95-7 2-Bromo-6-chlorotoluene62356-27-8

Elsewhere

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