chempirical

1,1′-Oxybis[4-(bromomethyl)benzene]

C14H12Br2OCAS 4542-75-0356.06 g/mol

Open in Covalent MOL file
BrOBr
Alkyl halideEther

Properties

Molecular formula
C14H12Br2O
Molar mass
356.06 g/mol
Exact mass
353.9255 Da
Melting point
98 °C
Boiling point
231–240 °C (at 0.5 Torr)
logP
5.27Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
4542-75-0
SMILES
BrCc1ccc(Oc2ccc(CBr)cc2)cc1
InChIKey
QPSFOUFNVQVKKJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H12Br2O/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8H,9-10H2

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 1,1′-oxybis[4-(bromomethyl)-
  • Ether, bis(α-bromo-p-tolyl)
  • 4,4′-Oxybis[1-(bromomethyl)benzene]
  • 4,4′-Bis(bromomethyl) diphenyl ether
  • Bis[4-(bromomethyl)phenyl] ether
  • 1-(Bromomethyl)-4-[4-(bromomethyl)phenoxy]benzene

Work with 1,1′-Oxybis[4-(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

1,4-Bis(bromomethyl)benzene623-24-567 % similar 4-Methoxybenzyl bromide2746-25-063 % similar 4-Trifluoromethoxybenzyl bromide50824-05-056 % similar 3-Phenoxybenzyl bromide51632-16-754 % similar 4-Bromobenzyl bromide589-15-152 % similar Benzyl bromide100-39-050 % similar 4-Methylbenzyl bromide104-81-450 % similar 4-Iodobenzyl bromide16004-15-250 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook