Compound: 2,4,6-TRINITROTOLUENE
SMILES: O=[N+]([O-])c1c(c([N+](=O)[O-])cc(c1)[N+](=O)[O-])C
InChIKey: SPSSULHKWOKEEL-UHFFFAOYSA-N
Synonyms: 2,4,6-TRINITROTOLUENE, Trinitrotoluene, Trotyl, 118-96-7, Tolite, s-Trinitrotoluol, s-Trinitrotoluene, 2-Methyl-1,3,5-trinitrobenzene, sym-Trinitrotoluol, trilit, trinitrotoluol, Tolit, alpha-TNT, Trojnitrotoluen, Gradetol, Tnt-tolite, sym-Trinitrotoluene, 2,4,6-Trinitrotoluol, Tritol (explosive), 1-Methyl-2,4,6-trinitrobenzene, Toluene, 2,4,6-trinitro-, Benzene, 2-methyl-1,3,5-trinitro-, NCI-C56155, 2,4,6-TNT, 2,4,6-Trinitrotolueen, DTXSID7024372, H43RF5TRM5, alpha-trinitrotoluol, NSC-36949, CHEBI:46053, methyltrinitrobenzene, 2,4,6-trinitrotoluene (tnt), RefChem:191847, DTXCID904372, 204-289-6, Tritol, TNT, Trinitrotoluen, NSC 36949, .alpha.-TNT, TNT-tolite [French], Trojnitrotoluen [Polish], TNL, CCRIS 1299, HSDB 1146, 2,4,6-Trinitrotolueen [Dutch], 2,4,6-Trinitrotoluol [German], EINECS 204-289-6, UN0209, UN1356, UNII-H43RF5TRM5, Trinitrotoluene, 2,4,6-, Trinitrotoluene, dry, Trinitrotoluene, wet, 2,6-Trinitrotoluol, 2,6-Trinitrotolueen, 2,6-Trinitrotoluene, 2,4,6-trinitro-toluene, EC 204-289-6, SCHEMBL20676, UN 0209 (Salt/Mix), UN 1356 (Salt/Mix), SCHEMBL231026, TRINITROTOLUENE [HSDB], WLN: WNR B1 CNW ENW, 2-Methyl-1,5-trinitrobenzene, SCHEMBL9719652, Toluene,4,6-trinitro- (wet), CHEMBL1236345, SCHEMBL12305492, SCHEMBL19348544, 1-methyl-2,4,6-trinitrotoluene, NSC36949, Trinitrotoluene or TNT, dry or wetted with < 30% water, by mass, 2,4,6-TRINITROTOLUENE [MI], AKOS001092689, DB01676, EBC-384104, 2,4,6-TRINITROTOLUENE [IARC], NS00009789, Q170167, Trinitrotoluene, wetted with not <30% water, by mass, Z57056414, 2,4,6-Trinitrotoluene (TNT) 10 microg/mL in Cyclohexane, 2,4,6-Trinitrotoluene (TNT) 100 microg/mL in Cyclohexane, Trinitrotoluene or TNT, dry or wetted with <30% water, by mass, 2,4,6-Trinitrotoluene (TNT) 1000 microg/mL in Acetonitrile:Methanol, Trinitrotoluene, wetted with not <30% water, by mass [UN1356]  [Flammable solid], Trinitrotoluene or TNT, dry or wetted with <30% water, by mass [UN0209]  [Explosive 1.1D]
Theoretical properties:
molecular_formula: C7H5N3O6
molecular_weight: 227.13 g/mol
exact_mass: 227.01783489 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 0
heavy_atom_count: 16
topological_polar_surface_area: 137 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Monoclinic rhombohedra from alc; commercial crystals (needles) are yellow
color: Monoclinic rhombohedra from alc; commercial crystals (needles) are yellow
odor: Odorless
boiling_point: 464 °F at 760 mmHg EXPLODES (NTP, 1992)
melting_point: 177.6 °F (NTP, 1992)
density: 1.654 at 68 °F (NTP, 1992) - Denser than water; will sink
solubility: Insoluble (NTP, 1992)
flash_point: (Explodes) (NIOSH, 2024)
vapor_pressure: 0.046 mmHg (NTP, 1992)
Descriptions:
pubchem: 2,4,6-Trinitrotoluene can cause cancer according to an independent committee of scientific and health experts.
chebi: A trinitrotoluene having the nitro groups at positions 2, 4 and 6.
chembl: TRINITROTOLUENE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Trinitrotoluene ( try-NY-troh-TOL-yoo-een, -⁠yə-ween), more commonly known as TNT (and more specifically 2,4,6-trinitrotoluene, and by its preferred IUPAC name 2-methyl-1,3,5-trinitrobenzene), is a chemical compound with the formula C6H2(NO2)3CH3. TNT is occasionally used as a reagent in chemical synthesis, but it is best known as an explosive material with convenient handling properties.  The explosive yield of TNT is considered to be the standard comparative convention of bombs and asteroid impacts. In chemistry, TNT is used to generate charge transfer salts.