1,3-Dinitrobenzene

CAS Registry Number®

99-65-0

CAS Name

1,3-Dinitrobenzene

Molecular Formula

C6H4N2O4

Molecular Mass

168.11

Cite this Page

1,3-Dinitrobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99-65-0 (retrieved 2024-11-22) (CAS RN: 99-65-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    302.8 °C @ Press: 770 Torr

  • Melting Point (1)

    89-90 °C

  • Density (1)

    1.575 g/cm³ @ Temp: 18 °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/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H

InChIKey

InChIKey=WDCYWAQPCXBPJA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1,3-dinitro-
  • Benzene, m-dinitro-
  • 1,3-Dinitrobenzene
  • m-Dinitrobenzene
  • DNB

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CAS INSIGHTSTM
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