chempirical

2-Bromobenzyl bromide

C7H6Br2CAS 3433-80-5249.93 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
31 °C
Boiling point
124–128 °C (at 17 Torr)
logP
3.34Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
3433-80-5
SMILES
BrCc1ccccc1Br
InChIKey
LZSYGJNFCREHMD-UHFFFAOYSA-N
InChI
InChI=1S/C7H6Br2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 1-bromo-2-(bromomethyl)-
  • Toluene, o,α-dibromo-
  • 1-Bromo-2-(bromomethyl)benzene
  • o-Bromobenzyl bromide
  • α,o-Dibromotoluene
  • o-(Bromomethyl)bromobenzene
  • 2-(Bromomethyl)bromobenzene
  • 1-Bromomethyl-2-bromobenzene

Work with 2-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-Bromo-3-(bromomethyl)-2-fluorobenzene149947-16-058 % similar 2-Bromobenzyl alcohol18982-54-254 % similar 1-Bromo-2-ethylbenzene1973-22-454 % similar 2-Cyanobenzyl bromide22115-41-954 % similar 2-Fluorobenzyl bromide446-48-052 % similar 2-Chlorobenzyl bromide611-17-652 % similar 2-Methylbenzyl bromide89-92-952 % similar 2-Bromobenzeneethanol1074-16-450 % 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 4-Bromobenzyl bromide589-15-1 1,2-Dibromo-4-methylbenzene60956-23-2 2,5-Dibromotoluene615-59-8 3-Bromobenzyl bromide823-78-9

Elsewhere

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