1,2,3-Trinitrobenzene

CAS Registry Number®

603-13-4

CAS Name

1,2,3-Trinitrobenzene

Molecular Formula

C6H3N3O6

Molecular Mass

213.10

Cite this Page

1,2,3-Trinitrobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=603-13-4 (retrieved 2024-11-22) (CAS RN: 603-13-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H3N3O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H

InChIKey

InChIKey=ONOWMDPHGJEBAZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1,2,3-trinitro-
  • 1,2,3-Trinitrobenzene

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