chempirical

Benzofuran

C8H6OCAS 271-89-6118.13 g/mol

Open in Covalent MOL file
O

Properties

Molecular formula
C8H6O
Molar mass
118.13 g/mol
Exact mass
118.0419 Da
Density
1.0913 g/mL (at 25 °C)
Melting point
below −18 °C
Boiling point
174 °C
Flash point
56 °C
Water solubility
miscible
logP
2.43Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Health Hazard (GHS08)

Aggregated from 65 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P318, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
271-89-6
SMILES
c1ccc2occc2c1
InChIKey
IANQTJSKSUMEQM-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H

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Names and synonyms

9 names
  • 2,3-Benzofuran
  • Coumarone
  • 1-Oxindene
  • Benzofurfuran
  • Benzo[b]furan
  • R 7204
  • AT 33852
  • NSC 1255
  • 1-Benzofuran

Reactions

Work with Benzofuran

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

6-Bromobenzofuran128851-73-044 % similar 5-Benzofuranol13196-10-644 % similar Chromone491-38-344 % similar 5-Methoxybenzofuran13391-28-141 % similar 4-Bromobenzofuran128868-60-041 % similar Coumarin91-64-541 % similar 1-Benzofuran-5-carbaldehyde10035-16-240 % similar Naphthalene91-20-339 % similar

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

Same formula

3-Hydroxyphenylacetylene10401-11-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia