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Substance Name: 2-Acetylbenzofuran
RN: 1646-26-0
UNII: A1FJQ7D0K3
InChIKey: YUTFQTAITWWGFH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H8-O2

Molecular Weight

  • 160.171
 
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Names and Synonyms

Name of Substance

  • 2-Acetylbenzofuran

Synonyms

  • 1-(2-Benzofuranyl)ethanone
  • 2-Acetylbenzofuran
  • 2-Acetylcoumarone
  • 2-Acetylcumarone
  • 2-Benzofuranyl methyl ketone
  • 5-17-10-00172 (Beilstein Handbook Reference)
  • Benzo(b)furan-2-yl methyl ketone
  • BRN 0117910
  • EINECS 216-706-9
  • Ketone, 2-benzofuranyl methyl
  • NSC 23974
  • NSC 28904
  • UNII-A1FJQ7D0K3

Systematic Names

  • Benzofuran-2-yl methyl ketone
  • Ethanone, 1-(2-benzofuranyl)-
  • Ketone, 2-benzofuranyl methyl

Registry Numbers

CAS Registry Number

  • 1646-26-0

FDA UNII

  • A1FJQ7D0K3

System Generated Number

  • 0001646260

Structure Descriptors

InChI

1S/C10H8O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3

InChIKey

YUTFQTAITWWGFH-UHFFFAOYSA-N

Smiles

c12c(oc(c1)C(C)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1200mg/kg (1200mg/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 76 deg C   EXP
log P (octanol-water) 1.970 (none)   EST
Atmospheric OH Rate Constant 3.41E-11 cm3/molecule-sec 25 EST

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