2,4,6-Trinitrotoluene

CAS Registry Number®

118-96-7
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CAS Name

2,4,6-Trinitrotoluene

Molecular Formula

C7H5N3O6

Molecular Mass

227.13

Cite this Page

2,4,6-Trinitrotoluene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=118-96-7 (retrieved 2024-06-25) (CAS RN: 118-96-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    335-340 °C
  • Melting Point (2)

    80.1 °C
  • Density (2)

    1.654 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3

InChIKey

InChIKey=SPSSULHKWOKEEL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 2-methyl-1,3,5-trinitro-
  • Toluene, 2,4,6-trinitro-
  • 2-Methyl-1,3,5-trinitrobenzene
  • TNT
  • Tolite

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