CAS Registry Number®
118-96-7
CAS Name
2,4,6-Trinitrotoluene
Molecular Formula
C7H5N3O6
Molecular Mass
227.13
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)
- (1) Belyaev, A. F.; J. Phys. Chem. (U.S.S.R.), (1946), 20, 613-22, CAplus
- (2) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
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
- sym-Trinitrotoluene
- Trinitrotoluene
- sym-Trinitrotoluol
- Trotyl
- α-TNT
- 2,4,6-Trinitrotoluene
- Tritol
- Tolit
- Trotyl oil
- 1-Methyl-2,4,6-trinitrobenzene
- Tritol (explosive)
- Gradetol
- 4-Methyl-1,3,5-trinitrobenzene
- NSC 36949
- MeSH ID: D014303
