3-Bromobenzyl bromide

C7H6Br2CAS 823-78-9249.93 g/mol

Open in Covalent MOL file
BrBr
Alkyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 50 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
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 1-Bromo-3-(chloromethyl)benzene932-77-459 % similar 3,5-Dibromobenzyl bromide56908-88-458 % similar 3-Fluorobenzyl bromide456-41-756 % similar 3-Chlorobenzyl bromide766-80-356 % 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 2,6-Dibromotoluene69321-60-4

Elsewhere

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