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Substance Name: 6-Nitropiperonal
RN: 712-97-0
InChIKey: NRZWECORTTWSEF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H5-N-O5

Molecular Weight

  • 195.13
 
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Names and Synonyms

Name of Substance

  • 6-Nitropiperonal

Synonyms

  • 1,3-Benzodioxole, 5-formyl-6-nitro-
  • 6-Nitropiperonal
  • AI3-63081
  • EINECS 211-926-1
  • NSC 40550
  • NSC 66217
  • Piperonal, 6-nitro-

Systematic Names

  • 1,3-Benzodioxole-5-carboxaldehyde, 6-nitro-
  • 6-Nitropiperonal

Registry Numbers

CAS Registry Number

  • 712-97-0

System Generated Number

  • 0000712970

Structure Descriptors

InChI

1S/C8H5NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3H,4H2

InChIKey

NRZWECORTTWSEF-UHFFFAOYSA-N

Smiles

c12c(cc([N+](=O)[O-])c(c1)C=O)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04490,