chempirical

4,4'-Dibromodiphenyl ether

C12H8Br2OCAS 2050-47-7328.00 g/mol

Open in Covalent MOL file
BrOBr
Aryl halideEther

Properties

Molecular formula
C12H8Br2O
Molar mass
328.00 g/mol
Exact mass
325.8942 Da
Melting point
60.5 °C
Boiling point
339 °C
logP
5.00Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2050-47-7
SMILES
Brc1ccc(Oc2ccc(Br)cc2)cc1
InChIKey
YAWIAFUBXXPJMQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H

Weigh it out

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

Names and synonyms

14 names · show all
  • Bde 15
  • Benzene, 1,1′-oxybis[4-bromo-
  • Ether, bis(p-bromophenyl)
  • 1,1′-Oxybis[4-bromobenzene]
  • Bis(p-bromophenyl) ether
  • 4,4′-Dibromodiphenyl ether
  • p,p′-Dibromodiphenyl ether
  • Bis(4-bromophenyl) ether
  • Bis(bromophenyl) ether
  • PBDE 15
  • NSC 1787
  • NSC 9487
  • Di(4-bromophenyl) ether
  • 3,2′-Dibromodiphenyl ether

Work with 4,4'-Dibromodiphenyl 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

4-Bromodiphenyl ether101-55-379 % similar 1,4-Dibromobenzene106-37-660 % similar 4-Bromoanisole104-92-757 % similar 4,4''-Dibromo-P-terphenyl17788-94-250 % similar 1-Bromo-4-((trimethylsilyl)oxy)benzene17878-44-350 % similar 4,4′-Dihydroxydiphenyl ether1965-09-950 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-750 % similar 4-Bromophenetole588-96-550 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook