Substance
- Substance Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
- Formula: C14H16ClN3O2
- Molecular Weight: 293.75 g/mol
- Identifiers:
- inchi: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3
- inchikey: WURBVZBTWMNKQT-UHFFFAOYSA-N
- casrn: 43121-43-3
- csmiles: CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl
- ismiles: CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl
- pubchemId: 39385
- iupacname: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one
- wikidataId: Q2452254
- chemspiderId: 36029
- dsstoxcmpId: DTXCID403897
- chemblId: CHEMBL520897
- ecnumber: 256-103-8
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
Systems and Datasets
- acetone + water + 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone (Datasets: 1)
- Dataset 1 in paper 10.1021/je900045z (Dataseries: 9, Datapoints: 108, Quantity: Mole fraction)
- acetonitrile + 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone (Datasets: 1)
- Dataset 1 in paper 10.1021/je901024t (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- hexane + 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone (Datasets: 1)
- Dataset 2 in paper 10.1021/je901024t (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- heptane + 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone (Datasets: 1)
- Dataset 3 in paper 10.1021/je901024t (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- cyclohexane + 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone (Datasets: 1)
- Dataset 4 in paper 10.1021/je901024t (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- toluene + 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone (Datasets: 1)
- Dataset 5 in paper 10.1021/je901024t (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- 1,4-dimethylbenzene + 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone (Datasets: 1)
- Dataset 6 in paper 10.1021/je901024t (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)