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| Chemical manufacturer | ||||
| Name | 2,3,4-Trinitrotoluene |
|---|---|
| Synonyms | 1-Methyl-2,3,4-Trinitro-Benzene; 2,3,4-Trinitrotoluene; 4-05-00-00872 (Beilstein Handbook Reference) |
| Molecular Structure |  |
| Molecular Formula | C7H5N3O6 |
| Molecular Weight | 227.13 |
| CAS Registry Number | 602-29-9 |
| SMILES | C1=C([N+]([O-])=O)C(=C([N+]([O-])=O)C(=C1)C)[N+]([O-])=O |
| InChI | 1S/C7H5N3O6/c1-4-2-3-5(8(11)12)7(10(15)16)6(4)9(13)14/h2-3H,1H3 |
| InChIKey | FPKOPBFLPLFWAD-UHFFFAOYSA-N |
| Density | 1.608g/cm3 (Cal.) |
|---|---|
| Boiling point | 431.787°C at 760 mmHg (Cal.) |
| Flash point | 231.483°C (Cal.) |
| (1) | Chakkooth Vijayakumar, Gerard Tobin, Wolfgang Schmitt, Mi-Jeong Kim and Masayuki Takeuchi. Detection of explosive vapors with a charge transfer molecule: self-assembly assisted morphology tuning and enhancement in sensing efficiency, Chem. Commun., 2010, 46, 874. |
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| List of Reports Available for 2,3,4-Trinitrotoluene |