Compound Summary
Compound Information
2,4,6-trinitrotoluene
Compound Name: | 2,4,6-trinitrotoluene |
Compound CID: | 8376 |
Synonyms: | 2,4,6-TRINITROTOLUENE Trinitrotoluene Trotyl 118-96-7 s-Trinitrotoluol More... |
Iupac Name: | 2-methyl-1,3,5-trinitrobenzene |
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 |
Canonical Smiles: | CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Isomeric Smiles: | CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Molecular Weight: | 227.13 |
Molecular Formula: | C7H5N3O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
2,4,6-trinitrotoluene
Molecular Weight: | 227.13 |
Molecular Formula: | C7H5N3O6 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 16 |
Complexity: | 292 |
Synonyms
2,4,6-trinitrotoluene
| 2,4,6-trinitrotoluene | 2,4,6-trinitrotoluene |
|---|---|
2,4,6-TRINITROTOLUENE |
Trinitrotoluene |
Trotyl |
118-96-7 |
s-Trinitrotoluol |
s-Trinitrotoluene |
Tolite |
Tritol |
2-Methyl-1,3,5-trinitrobenzene |
sym-Trinitrotoluol |
trinitrotoluol |
Trojnitrotoluen |
Gradetol |
Tolit |
Tnt-tolite |
TNT |
alpha-TNT |
2,4,6-Trinitrotoluol |
sym-Trinitrotoluene |
Tritol (explosive) |
Toluene, 2,4,6-trinitro- |
Benzene, 2-methyl-1,3,5-trinitro- |
1-Methyl-2,4,6-trinitrobenzene |
NCI-C56155 |
Trinitrotoluen |
2,4,6-Trinitrotolueen |
2,4,6-TNT |
NSC 36949 |
.alpha.-TNT |
H43RF5TRM5 |
2,4,6-trinitrotoluene (tnt) |
trilit |
DTXSID7024372 |
CHEBI:46053 |
NSC-36949 |
2,4,6-trinitritoluene |
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- |
alpha-trinitrotoluol |
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) |
TRINITROTOLUENE HSDB |
WLN: WNR B1 CNW ENW |
2-Methyl-1,5-trinitrobenzene |
Toluene,4,6-trinitro- (wet) |
CHEMBL1236345 |
SCHEMBL12305492 |
1-methyl-2,4,6-trinitrotoluene |
NSC36949 |
Trinitrotoluene or TNT, dry or wetted with < 30% water, by mass |
ZINC14880028 |
2,4,6-TRINITROTOLUENE MI |
AKOS001092689 |
DB01676 |
2,4,6-TRINITROTOLUENE IARC |
Q170167 |
Trinitrotoluene, wetted with not <30% water, by mass |
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 |
Experimental Data
2,4,6-trinitrotoluene
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 10 | ng/mL | 19.14 | 17.61 | 7.8 | NS | N2 | 35436606 | Inactive | ||||
| Caenorhabditis elegans | 50 | ng/mL | 19.14 | 16.18 | 15.29 | S | N2 | 35436606 | Active | ||||
| Caenorhabditis elegans | 100 | ng/mL | 19.14 | 15.03 | 21.31 | S | N2 | 35436606 | Active |
Experimental Data Visualization
2,4,6-trinitrotoluene
Statistics Data
2,4,6-trinitrotoluene
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 21.31 | 1 | 3 |
Statistics Data Visualization
2,4,6-trinitrotoluene
