2,3,6-Trinitrotoluene
CAS Registry Number®
18292-97-2
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CAS Name
2,3,6-TrinitrotolueneMolecular Formula
C7H5N3O6Molecular Mass
227.13Cite this Page
2,3,6-Trinitrotoluene. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=18292-97-2 (retrieved ) (CAS RN: 18292-97-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
111.5-112.5 °C
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C7H5N3O6/c1-4-5(8(11)12)2-3-6(9(13)14)7(4)10(15)16/h2-3H,1H3
InChIKey
InChIKey=LFCALAUEQXYQIV-UHFFFAOYSA-N
SMILES
N(=O)(=O)C1=C(N(=O)=O)C=CC(N(=O)=O)=C1C
Canonical SMILES
O=N(=O)C1=CC=C(C(=C1N(=O)=O)C)N(=O)=O
Other Names for this Substance
- Benzene, 2-methyl-1,3,4-trinitro-
- Toluene, 2,3,6-trinitro-
- Benzene, 1-methyl-2,3,6-trinitro-
- 2-Methyl-1,3,4-trinitrobenzene
- 2,3,6-Trinitrotoluene
