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Substance Name: 1,8-Dinitropyrene
RN: 42397-65-9
UNII: 51U7E9MW6I
InChIKey: BLYXNIHKOMELAP-UHFFFAOYSA-N

Molecular Formula

  • C16-H8-N2-O4

Molecular Weight

  • 292.249
 

Classification Codes

Classification Codes

  • Carcinogens
  • Mutagens
  • Mutation Data
  • Noxae
  • 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

  • 1,8-Dinitropyrene

Synonyms

  • 1,8-Dinitropyrene
  • 3-05-00-02287 (Beilstein Handbook Reference)
  • BRN 3413165
  • CCRIS 2585
  • HSDB 7873
  • UNII-51U7E9MW6I

Systematic Names

  • 1,8-Dinitropyrene
  • Pyrene, 1,8-dinitro-

Superlist Names

  • 1,8-Dinitropyrene
  • 1,8-Dinitropyrene [Nitroarenes]

Registry Numbers

CAS Registry Number

  • 42397-65-9

FDA UNII

  • 51U7E9MW6I

System Generated Number

  • 0042397659

Structure Descriptors

InChI

1S/C16H8N2O4/c19-17(20)13-7-3-9-1-2-10-4-8-14(18(21)22)12-6-5-11(13)15(9)16(10)12/h1-8H

InChIKey

BLYXNIHKOMELAP-UHFFFAOYSA-N

Smiles

c12c3c4c(ccc3ccc2ccc(c1cc4)[N+](=O)[O-])[N+](=O)[O-]