chempirical

4-Bromobenzyl bromide

C7H6Br2CAS 589-15-1249.93 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
63 °C
Boiling point
190–195 °C (at 4 Torr)
logP
3.34Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
589-15-1
SMILES
BrCc1ccc(Br)cc1
InChIKey
YLRBJYMANQKEAW-UHFFFAOYSA-N
InChI
InChI=1S/C7H6Br2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1-bromo-4-(bromomethyl)-
  • Toluene, p,α-dibromo-
  • 1-Bromo-4-(bromomethyl)benzene
  • p-Bromobenzyl bromide
  • α,p-Dibromotoluene
  • 4-(Bromomethyl)bromobenzene
  • 1-(Bromomethyl)-4-bromobenzene
  • 4-Bromo-1-bromomethylbenzene
  • NSC 113584

Work with 4-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

1,4-Bis(bromomethyl)benzene623-24-571 % similar 1,4-Dibromobenzene106-37-653 % similar Benzyl bromide100-39-052 % similar 4-Methylbenzyl bromide104-81-452 % similar 1-Bromo-4-ethylbenzene1585-07-552 % similar 4-Iodobenzyl bromide16004-15-252 % similar 4-Bromobenzenemethanamine3959-07-752 % similar 1,1′-Oxybis[4-(bromomethyl)benzene]4542-75-052 % 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 1,2-Dibromo-4-methylbenzene60956-23-2 2,5-Dibromotoluene615-59-8 3-Bromobenzyl bromide823-78-9

Elsewhere

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