Substance
- Substance Name: 2,4,6-trinitrotoluene
- Formula: C7H5N3O6
- Molecular Weight: 227.13 g/mol
- Identifiers:
- casrn: 118-96-7
- pubchemId: 8376
- iupacname: 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
- csmiles: CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
- ismiles: CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
- wikidataId: Q170167
- chemspiderId: 8073
- dsstoxcmpId: DTXCID904372
- chemblId: CHEMBL1236345
- ecnumber: 204-289-6
2,4,6-trinitrotoluene
Systems and Datasets
- 2,4,6-trinitrotoluene (Datasets: 6)
- Dataset 7 in paper 10.1021/acs.jced.6b00483 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of vaporization or sublimation)
- Dataset 9 in paper 10.1016/j.tca.2010.11.034 (Dataseries: 1, Datapoints: 6, Quantity: Vapor pressure)
- Dataset 7 in paper 10.1016/j.tca.2016.03.018 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 8 in paper 10.1016/j.tca.2016.03.018 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 9 in paper 10.1016/j.tca.2016.03.018 (Dataseries: 1, Datapoints: 5, Quantity: Vapor pressure)
- Dataset 1 in paper 10.1016/j.tca.2018.06.006 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- acetonitrile + 2,4,6-trinitrotoluene (Datasets: 1)
- Dataset 35 in paper 10.1016/j.tca.2015.09.022 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of solution)