3-Bromobenzyl bromide

C₇H₆Br₂CAS 823-78-9249.93 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₆Br₂
Molar mass: 249.93 g/mol
Exact mass: 247.8836 Da
Melting point: 39–41 °C
logP: 3.34Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

823-78-9

SMILES

BrCc1cccc(Br)c1

InChIKey

ZPCJPJQUVRIILS-UHFFFAOYSA-N

InChI

InChI=1S/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

Weigh it out

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

Names and synonyms

7 names

1-Bromo-3-(bromomethyl)benzene
m-Bromobenzyl bromide
α,m-Dibromotoluene
3-(Bromomethyl)bromobenzene
1-Bromomethyl-3-bromobenzene
Benzene, 1-bromo-3-(bromomethyl)-
Toluene, m,α-dibromo-

Work with 3-Bromobenzyl 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

1,3-Bis(bromomethyl)benzene626-15-368 % similar 3-Bromobenzylamine10269-01-959 % similar 3-Bromobenzenemethanol15852-73-059 % similar 1-Bromo-3-ethylbenzene2725-82-859 % similar 3-Fluorobenzyl bromide456-41-756 % similar 3-Chlorobenzyl bromide766-80-356 % similar 1,3-Dibromobenzene108-36-155 % similar 3-Methylbenzyl bromide620-13-354 % similar

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

Same formula

3,5-Dibromotoluene1611-92-3 2,4-Dibromo-1-methylbenzene31543-75-6 2-Bromobenzyl bromide3433-80-5 4-Bromobenzyl bromide589-15-1 1,2-Dibromo-4-methylbenzene60956-23-2 2,5-Dibromotoluene615-59-8

Elsewhere

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