2,3,5-Trinitrotoluene

CAS Registry Number®

609-74-5

CAS Name

2,3,5-Trinitrotoluene

Molecular Formula

C7H5N3O6

Molecular Mass

227.13

Cite this Page

2,3,5-Trinitrotoluene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=609-74-5 (retrieved 2024-11-29) (CAS RN: 609-74-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    97 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=DGSCKRLVSINLST-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-methyl-2,3,5-trinitro-
  • 1-Methyl-2,3,5-trinitrobenzene
  • 2,3,5-Trinitrotoluene

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