chempirical

4-Bromodiphenyl ether

C12H9BrOCAS 101-55-3249.11 g/mol

Open in Covalent MOL file
BrO
Aryl halideEther

Properties

Molecular formula
C12H9BrO
Molar mass
249.11 g/mol
Exact mass
247.9837 Da
Density
1.6088 g/mL (at 20 °C)
Melting point
18.72 °C
Boiling point
310.1 °C
logP
4.24Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
101-55-3
SMILES
Brc1ccc(Oc2ccccc2)cc1
InChIKey
JDUYPUMQALQRCN-UHFFFAOYSA-N
InChI
InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H

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Names and synonyms

17 names · show all
  • Benzene, 1-bromo-4-phenoxy-
  • Ether, p-bromophenyl phenyl
  • 1-Bromo-4-phenoxybenzene
  • p-Bromophenyl phenyl ether
  • 4-Bromophenoxybenzene
  • p-Bromodiphenyl ether
  • 4-Bromophenyl phenyl ether
  • p-Phenoxybromobenzene
  • p-Bromophenoxybenzene
  • p-Phenoxyphenyl bromide
  • 4-Phenoxyphenyl bromide
  • 4-Phenoxybromobenzene
  • BDE 3
  • PBDE 3
  • NSC 5619
  • 4-Phenoxy-1-bromobenzene
  • BDE 003

Work with 4-Bromodiphenyl ether

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bde 152050-47-779 % similar 1,4-Diphenoxybenzene3061-36-768 % similar Diphenyl ether101-84-863 % similar 4-Phenoxyphenol831-82-358 % similar Bromobenzene108-86-155 % similar Biphenyl-diphenyl ether mixture8004-13-555 % similar 1-(Benzyloxy)-4-bromobenzene6793-92-654 % similar 1,3-Diphenoxybenzene3379-38-252 % similar

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

Same formula

4-Bromo-4′-hydroxybiphenyl29558-77-8 2-(Bromoacetyl)naphthalene613-54-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook