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Substance Name: 4-Nitropyrene
RN: 57835-92-4
UNII: XOT1408EDI
InChIKey: UISKIUIWPSPSAV-UHFFFAOYSA-N

Molecular Formula

  • C16-H9-N-O2

Molecular Weight

  • 247.252
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
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Names and Synonyms

Name of Substance

  • 4-Nitropyrene

Synonyms

  • 4-05-00-02471 (Beilstein Handbook Reference)
  • 4-Nitropyrene
  • BRN 1979733
  • CCRIS 4231
  • HSDB 7769
  • UNII-XOT1408EDI

Systematic Names

  • 4-Nitropyrene
  • Pyrene, 4-nitro-

Superlist Names

  • 4-Nitropyrene
  • 4-Nitropyrene [Nitroarenes]

Registry Numbers

CAS Registry Number

  • 57835-92-4

FDA UNII

  • XOT1408EDI

System Generated Number

  • 0057835924

Structure Descriptors

InChI

1S/C16H9NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H

InChIKey

UISKIUIWPSPSAV-UHFFFAOYSA-N

Smiles

c12c3c4cc(c1cccc2ccc3ccc4)[N+](=O)[O-]