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Substance Name: 1,4-Butanedione, 1,4-diphenyl-2,3-epoxy-
RN: 4440-98-6
InChIKey: ADFLDJCSCJHDEY-UHFFFAOYSA-N

Molecular Formula

  • C16-H12-O3

Molecular Weight

  • 252.268
 
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Names and Synonyms

Synonyms

  • 1,4-Butanedione, 1,4-diphenyl-2,3-epoxy-
  • 1,4-Diphenyl-2,3-epoxy-1,4-butanedione
  • 2,3-Dibenzoyloxirane
  • AI3-51314
  • NSC 39792

Systematic Names

  • 1,4-Butanedione, 1,4-diphenyl-2,3-epoxy-
  • Methanone, 2,3-oxiranediylbis(phenyl- (9CI)

Registry Numbers

CAS Registry Number

  • 4440-98-6

System Generated Number

  • 0004440986

Structure Descriptors

InChI

1S/C16H12O3/c17-13(11-7-3-1-4-8-11)15-16(19-15)14(18)12-9-5-2-6-10-12/h1-10,15-16H

InChIKey

ADFLDJCSCJHDEY-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]1C(c1ccccc1)=O)C(c1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01582,