Molecular properties
- Formula
- C7H5N3O6
- Molar mass
- 227.13 g·mol−1
- Exact mass
- 227.0178 Da
- 7
- PubChem CID
- 8376
Molecule record
2-methyl-1,3,5-trinitrobenzene
C7H5N3O6
227.13 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-Methyl-2,4,6-trinitrobenzene
- 118-96-7
- 2,4,6-TNT
- 2,4,6-TRINITROTOLUENE
- 2,4,6-Trinitrotolueen
- 2,4,6-Trinitrotoluol
- Benzene, 2-methyl-1,3,5-trinitro-
- Gradetol
Show all 24 synonyms
- NCI-C56155
- Tnt-tolite
- Tolit
- Tolite
- Toluene, 2,4,6-trinitro-
- Trinitrotoluene
- Tritol (explosive)
- Trojnitrotoluen
- Trotyl
- alpha-TNT
- s-Trinitrotoluene
- s-Trinitrotoluol
- sym-Trinitrotoluene
- sym-Trinitrotoluol
- trilit
- trinitrotoluol
Structure identifiers
- Canonical SMILES
- Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]
- Isomeric SMILES
- CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
- 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
- SPSSULHKWOKEEL-UHFFFAOYSA-N
- PubChem CID
- 8376
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 2-methyl-1,3,5-trinitrobenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-methyl-1,3,5-trinitrobenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.