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Substance Name: 2,4-Pentanedione, 3-(m-nitrobenzylidene)-
RN: 29197-19-1
InChIKey: UXGCGDAMTXPIIJ-UHFFFAOYSA-N

Molecular Formula

  • C12-H11-N-O4

Molecular Weight

  • 233.222
 
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Names and Synonyms

Synonyms

  • 0-07-00-00706 (Beilstein Handbook Reference)
  • 3-(3-Nitrobenzylidene)acetylacetone
  • 3-(m-Nitrobenzal) 2,4-pentanedione
  • 3-(m-Nitrobenzylidene)acetylacetone
  • BRN 2054358
  • NSC 46599

Systematic Names

  • 2,4-Pentanedione, 3-((3-nitrophenyl)methylene)- (9CI)
  • 2,4-Pentanedione, 3-(m-nitrobenzylidene)-

Registry Numbers

CAS Registry Number

  • 29197-19-1

System Generated Number

  • 0029197191

Structure Descriptors

InChI

1S/C12H11NO4/c1-8(14)12(9(2)15)7-10-4-3-5-11(6-10)13(16)17/h3-7H,1-2H3

InChIKey

UXGCGDAMTXPIIJ-UHFFFAOYSA-N

Smiles

[N+](c1cc(\C=C(\C(=O)C)C(=O)C)ccc1)([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 5gm/kg (5000mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 8, 1961.