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Substance Name: Benzofuran
RN: 271-89-6
UNII: LK6946W774
InChIKey: IANQTJSKSUMEQM-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-O

Molecular Weight

  • 118.1344
 

Classification Codes

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 2B
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Names and Synonyms

Name of Substance

  • Benzofuran

Synonyms

  • 1-Oxidene
  • 1-Oxindene
  • 2,3-Benzofuran
  • 5-17-02-00003 (Beilstein Handbook Reference)
  • AI3-17613
  • Benzo(b)furan
  • Benzofuran
  • Benzofuran (IUPAC)
  • Benzofurfuran
  • BRN 0107704
  • CCRIS 2384
  • Coumaron
  • Coumarone
  • Cumarone
  • EINECS 205-982-6
  • HSDB 4173
  • NCI-C56166
  • NSC 1255
  • UNII-LK6946W774

Systematic Name

  • Benzofuran

Superlist Name

  • Benzofuran

Registry Numbers

CAS Registry Number

  • 271-89-6

FDA UNII

  • LK6946W774

System Generated Number

  • 0000271896

Structure Descriptors

InChI

1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H

InChIKey

IANQTJSKSUMEQM-UHFFFAOYSA-N

Smiles

c12c(occ1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 383, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.80E+01 deg C   EXP
Boiling Point 174 deg C   EXP
log P (octanol-water) 2.67 (none)   EXP
Water Solubility 678 mg/L 25 EST
Vapor Pressure 0.44 mm Hg 25 EXP
Henry's Law Constant 1.01E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.73E-11 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.