Dibenzofuran

C12H8OCAS 132-64-9168.19 g/mol

Open in Covalent MOL file
O

Properties

Molecular formula
C12H8O
Molar mass
168.19 g/mol
Exact mass
168.0575 Da
Density
1.0886 g/mL (at 99 °C)
Melting point
86.5 °C
Boiling point
287 °C
Water solubility
3.1 mg/L
logP
3.59Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Environmental Hazard (GHS09)

Aggregated from 22 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
132-64-9
SMILES
c1ccc2c(c1)oc1ccccc12
InChIKey
TXCDCPKCNAJMEE-UHFFFAOYSA-N
InChI
InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

Weigh it out

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

Names and synonyms

6 names
  • 2,2′-Biphenylene oxide
  • 2,2′-Biphenylylene oxide
  • Dibenzo[b,d]furan
  • Diphenylene oxide
  • [1,1′-Biphenyl]-2,2′-diyl oxide
  • NSC 1245

Work with Dibenzofuran

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dibenzofuran-D893952-04-6Labelled

Similar compounds

Xanthone90-47-165 % similar 3-Bromodibenzofuran26608-06-058 % similar 3-Dibenzofuranamine4106-66-558 % similar 2-Iododibenzofuran5408-56-058 % similar 2-Bromodibenzofuran86-76-058 % similar 2-Dibenzofuranol86-77-158 % similar Benzo(b)naphtho(1,2-d)furan205-39-054 % similar 1-Bromodibenzofuran50548-45-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia