3,5-Dinitrotoluene

CAS Registry Number®

618-85-9

CAS Name

3,5-Dinitrotoluene

Molecular Formula

C7H6N2O4

Molecular Mass

182.13

Cite this Page

3,5-Dinitrotoluene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=618-85-9 (retrieved 2024-11-22) (CAS RN: 618-85-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    315 °C

  • Melting Point (2)

    93 °C

  • Density (2)

    1.277 g/cm³

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  • (2) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3

InChIKey

InChIKey=RUIFULUFLANOCI-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-methyl-3,5-dinitro-
  • Toluene, 3,5-dinitro-
  • 1-Methyl-3,5-dinitrobenzene
  • 3,5-Dinitrotoluene
  • 3,5-DNT

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