1,3,5-Trinitrobenzene

CAS Registry Number®

99-35-4

CAS Name

1,3,5-Trinitrobenzene

Molecular Formula

C6H3N3O6

Molecular Mass

213.10

Cite this Page

1,3,5-Trinitrobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99-35-4 (retrieved 2024-11-22) (CAS RN: 99-35-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    315 °C @ Press: 760 Torr

  • Melting Point (1)

    122.5 °C

  • Density (1)

    1.76 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=UATJOMSPNYCXIX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=N(=O)C=1C=C(C=C(C1)N(=O)=O)N(=O)=O

Other Names for this Substance

  • Benzene, 1,3,5-trinitro-
  • 1,3,5-Trinitrobenzene
  • s-Trinitrobenzene
  • 2,4,6-Trinitrobenzene
  • Trinitrobenzene

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Deleted or Replaced CAS Registry Numbers

856948-61-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration