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Substance Name: 2,3,6-Trinitrotoluene
RN: 18292-97-2
UNII: VB65AU8340
InChIKey: LFCALAUEQXYQIV-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H5-N3-O6

Molecular Weight

  • 227.132
 
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Names and Synonyms

Name of Substance

  • 2,3,6-Trinitrotoluene

Synonyms

  • 2,3,6-Trinitrotoluene
  • 4-05-00-00872 (Beilstein Handbook Reference)
  • Benzene, 1-methyl-2,3,6-trinitro-
  • BRN 1990251
  • UNII-VB65AU8340

Systematic Names

  • Benzene, 1-methyl-2,3,6-trinitro-
  • Toluene, 2,3,6-trinitro-

Registry Numbers

CAS Registry Number

  • 18292-97-2

FDA UNII

  • VB65AU8340

System Generated Number

  • 0018292972

Structure Descriptors

InChI

1S/C7H5N3O6/c1-4-5(8(11)12)2-3-6(9(13)14)7(4)10(15)16/h2-3H,1H3

InChIKey

LFCALAUEQXYQIV-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]