2,5-Dichlorobenzyl bromide

C₇H₅BrCl₂CAS 85482-13-9239.92 g/mol

Open in Covalent MOL file

Alkyl halide Aryl 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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

85482-13-9

SMILES

C1=CC(=C(C=C1Cl)CBr)Cl

InChIKey

UUVDOPTUDWJHFK-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrCl2/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2

Weigh it out

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

Work with 2,5-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

2-Bromo-5-chlorobenzyl bromide66192-24-362 % similar 2,5-Dichlorobenzyl chloride2745-49-561 % similar 2-(Bromomethyl)-4-chloro-1-fluorobenzene71916-91-160 % similar 2-(Bromomethyl)-1-chloro-4-fluorobenzene81778-09-860 % similar 2-Chlorobenzyl bromide611-17-659 % similar 2,5-Dichlorobenzylamine10541-69-259 % similar 2,5-Dichlorobenzylic alcohol34145-05-659 % similar 2,5-Dichlorobenzeneethanamine56133-86-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dichlorobenzyl bromide18880-04-1 2,6-Dichlorobenzyl bromide20443-98-5 2,4-Dichlorobenzyl bromide20443-99-6 2-Bromo-1,3-dichloro-4-methylbenzene206559-41-3 2,3-Dichlorobenzyl bromide57915-78-3 1-Bromo-2,3-dichloro-5-methylbenzene960305-14-0

Elsewhere

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