3,4-Dinitrotoluene

CAS Registry Number®

610-39-9
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CAS Name

3,4-Dinitrotoluene

Molecular Formula

C7H6N2O4

Molecular Mass

182.13

Cite this Page

3,4-Dinitrotoluene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=610-39-9 (retrieved 2024-05-02) (CAS RN: 610-39-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    284 °C

  • Melting Point (2)

    58.3 °C

  • Density (2)

    1.2594 g/cm³ @ Temp: 111 °C

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

InChIKey

InChIKey=INYDMNPNDHRJQJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 4-methyl-1,2-dinitro-
  • Toluene, 3,4-dinitro-
  • 4-Methyl-1,2-dinitrobenzene
  • 3,4-Dinitrotoluene
  • 3,4-DNT

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