chempirical

1,3-Bis(bromomethyl)benzene

C8H8Br2CAS 626-15-3263.96 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
77 °C
Boiling point
158–160 °C (at 12 Torr)
logP
3.48Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
626-15-3
SMILES
BrCc1cccc(CBr)c1
InChIKey
OXHOPZLBSSTTBU-UHFFFAOYSA-N
InChI
InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2

Weigh it out

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Names and synonyms

10 names
  • Benzene, 1,3-bis(bromomethyl)-
  • m-Xylene, α,α′-dibromo-
  • m-Xylylene dibromide
  • α,α′-Dibromo-m-xylene
  • m-Bis(bromomethyl)benzene
  • m-(Bromomethyl)benzyl bromide
  • α,α′-m-Xylene dibromide
  • NSC 28040
  • α,α′-Dibromo-1,3-xylene
  • 1,3-Dibromomethyl benzene

Work with 1,3-Bis(bromomethyl)benzene

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

3-Fluorobenzyl bromide456-41-768 % similar 3-Chlorobenzyl bromide766-80-368 % similar 3-Bromobenzyl bromide823-78-968 % similar 3-Methylbenzyl bromide620-13-365 % similar Benzyl bromide100-39-063 % similar 3-Cyanobenzyl bromide28188-41-258 % similar 3-(Trifluoromethyl)benzyl bromide402-23-358 % similar 3-(Bromomethyl)phenylboronic acid51323-43-458 % 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 Xylylene dibromide91-13-4 (1,2-Dibromoethyl)benzene93-52-7

Elsewhere

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