Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,2-Dibenzoylethene
RN: 4070-75-1
InChIKey: WYCXGQSQHAXLPK-VAWYXSNFSA-N

Molecular Formula

  • C16-H12-O2

Molecular Weight

  • 236.269
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1,2-Dibenzoylethene

Synonyms

  • 0-07-00-00812 (Beilstein Handbook Reference)
  • 1,2-Dibenzoylethene
  • 1,2-Dibenzoylethylene
  • 1,4-Diphenyl-2-butene-1,4-dione
  • BRN 1871333
  • Dibenzoylethylene
  • EINECS 223-780-6
  • Ethylene, 1,2-dibenzoyl-
  • NSC 28072
  • USAF ND-57

Systematic Names

  • 1,4-Diphenylbut-2-ene-1,4-dione
  • 2-Butene-1,4-dione, 1,4-diphenyl-

Registry Numbers

CAS Registry Number

  • 4070-75-1

System Generated Number

  • 0004070751

Structure Descriptors

InChI

1S/C16H12O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H/b12-11+

InChIKey

WYCXGQSQHAXLPK-VAWYXSNFSA-N

Smiles

c1(C(\C=C\C(c2ccccc2)=O)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.16 (none)   EXP
Water Solubility 56.3 mg/L 25 EST
Vapor Pressure 7.13E-06 mm Hg 25 EST
Henry's Law Constant 4.34E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.05E-11 cm3/molecule-sec 25 EST

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