chempirical

Xylylene dibromide

C8H8Br2CAS 91-13-4263.96 g/mol

Open in Covalent MOL file
BrBr
Alkyl halide

Properties

Molecular formula
C8H8Br2
Molar mass
263.96 g/mol
Exact mass
261.8993 Da
Melting point
95 °C
Boiling point
140 °C (at 20 Torr)
logP
3.48Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
91-13-4
SMILES
BrCc1ccccc1CBr
InChIKey
KGKAYWMGPDWLQZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8Br2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2

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Names and synonyms

14 names · show all
  • Benzene, 1,2-bis(bromomethyl)-
  • o-Xylene, α,α′-dibromo-
  • 1,2-Bis(bromomethyl)benzene
  • α,α′-Dibromo-o-xylene
  • o-Xylylene dibromide
  • α,α′-Dibromo-o-xylol
  • o-Bis(bromomethyl)benzene
  • 1,2-Di(bromomethyl)benzene
  • o-(Bromomethyl)benzyl bromide
  • o-Di(bromomethyl)benzene
  • 2-(Bromomethyl)benzyl bromide
  • α,α′-Dibromo-1,2-xylene
  • NSC 3986
  • o-α,α′-Dibromoxylene

Work with Xylylene dibromide

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-Bromobenzyl bromide3433-80-568 % similar 2-Fluorobenzyl bromide446-48-062 % similar 2-Chlorobenzyl bromide611-17-662 % similar 2-Methylbenzyl bromide89-92-962 % similar 2-Cyanobenzyl bromide22115-41-957 % similar 2-Trifluoromethylbenzyl bromide395-44-854 % similar Benzyl bromide100-39-053 % similar 2,3-Difluorobenzyl bromide113211-94-250 % similar

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

Same formula

2,5-Dibromo-P-xylene1074-24-4 1,5-Dibromo-2,4-dimethylbenzene615-87-2 1,4-Bis(bromomethyl)benzene623-24-5 1,3-Bis(bromomethyl)benzene626-15-3 (1,2-Dibromoethyl)benzene93-52-7

Elsewhere

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