2,3,5-Trinitrotoluene
CAS Registry Number®
609-74-5
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CAS Name
2,3,5-TrinitrotolueneMolecular Formula
C7H5N3O6Molecular Mass
227.13Cite 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 ) (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
