1,3-Diamino-2,4,6-trinitrobenzene

CAS Registry Number®

1630-08-6

CAS Name

1,3-Diamino-2,4,6-trinitrobenzene

Molecular Formula

C6H5N5O6

Molecular Mass

243.13

Cite this Page

1,3-Diamino-2,4,6-trinitrobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1630-08-6 (retrieved 2024-11-25) (CAS RN: 1630-08-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    280 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H5N5O6/c7-4-2(9(12)13)1-3(10(14)15)5(8)6(4)11(16)17/h1H,7-8H2

InChIKey

InChIKey=FZAZPMLWYUKRAE-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(N)C(N(=O)=O)=CC(N(=O)=O)=C1N

Canonical SMILES

O=N(=O)C=1C=C(C(N)=C(C1N)N(=O)=O)N(=O)=O

Other Names for this Substance

  • 1,3-Benzenediamine, 2,4,6-trinitro-
  • m-Phenylenediamine, 2,4,6-trinitro-
  • 2,4,6-Trinitro-1,3-benzenediamine
  • 1,3-Diamino-2,4,6-trinitrobenzene
  • DATB

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