Substance
- Substance Name: 2,4,6-trinitro-3,5-dimethyl-tert-butylbenzene
- Formula: C12H15N3O6
- Molecular Weight: 297.26 g/mol
- Identifiers:
- inchi: InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3
- inchikey: XMWRWTSZNLOZFN-UHFFFAOYSA-N
- casrn: 81-15-2
- csmiles: CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]
- ismiles: CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]
- pubchemId: 62329
- iupacname: 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene
- wikidataId: Q425330
- chemspiderId: 56123
- dsstoxcmpId: DTXCID901405
- chemblId: CHEMBL228513
- ecnumber: 201-329-4
2,4,6-trinitro-3,5-dimethyl-tert-butylbenzene
Systems and Datasets
- 2,4,6-trinitro-3,5-dimethyl-tert-butylbenzene + water (Datasets: 1)
- Dataset 19 in paper 10.1021/je300954s (Dataseries: 1, Datapoints: 1, Quantity: Henry's Law constant (amount concentration scale))
- 2,4,6-trinitro-3,5-dimethyl-tert-butylbenzene + methanol (Datasets: 1)
- Dataset 1 in paper 10.1016/j.jct.2019.03.029 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 2,4,6-trinitro-3,5-dimethyl-tert-butylbenzene + ethanol (Datasets: 1)
- Dataset 2 in paper 10.1016/j.jct.2019.03.029 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 2,4,6-trinitro-3,5-dimethyl-tert-butylbenzene + propan-2-ol (Datasets: 1)
- Dataset 3 in paper 10.1016/j.jct.2019.03.029 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 2,4,6-trinitro-3,5-dimethyl-tert-butylbenzene + butan-1-ol (Datasets: 1)
- Dataset 4 in paper 10.1016/j.jct.2019.03.029 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 2,4,6-trinitro-3,5-dimethyl-tert-butylbenzene + cyclohexane (Datasets: 1)
- Dataset 5 in paper 10.1016/j.jct.2019.03.029 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 2,4,6-trinitro-3,5-dimethyl-tert-butylbenzene + hexane (Datasets: 1)
- Dataset 6 in paper 10.1016/j.jct.2019.03.029 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 2,4,6-trinitro-3,5-dimethyl-tert-butylbenzene + heptane (Datasets: 1)
- Dataset 7 in paper 10.1016/j.jct.2019.03.029 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 2,4,6-trinitro-3,5-dimethyl-tert-butylbenzene + N,N-dimethylethanamide (Datasets: 1)
- Dataset 8 in paper 10.1016/j.jct.2019.03.029 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 2,4,6-trinitro-3,5-dimethyl-tert-butylbenzene + ethyl acetate (Datasets: 1)
- Dataset 9 in paper 10.1016/j.jct.2019.03.029 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 2,4,6-trinitro-3,5-dimethyl-tert-butylbenzene + tetrahydrofuran (Datasets: 1)
- Dataset 10 in paper 10.1016/j.jct.2019.03.029 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)