Substance
- Substance Name: 3-nitrobenzonitrile
- Formula: C7H4N2O2
- Molecular Weight: 148.12 g/mol
- Identifiers:
- inchi: InChI=1S/C7H4N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H
- inchikey: RUSAWEHOGCWOPG-UHFFFAOYSA-N
- casrn: 619-24-9
- csmiles: C1=CC(=CC(=C1)[N+](=O)[O-])C#N
- ismiles: C1=CC(=CC(=C1)[N+](=O)[O-])C#N
- pubchemId: 12079
- iupacname: 3-nitrobenzonitrile
- wikidataId: Q63399425
- dsstoxcmpId: DTXCID2043169
- ecnumber: 210-587-7
3-nitrobenzonitrile
Systems and Datasets
- 3-nitrobenzonitrile + methanol (Datasets: 1)
- Dataset 1 in paper 10.1021/acs.jced.7b00615 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 3-nitrobenzonitrile + ethanol (Datasets: 1)
- Dataset 2 in paper 10.1021/acs.jced.7b00615 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 3-nitrobenzonitrile + propan-1-ol (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.7b00615 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 3-nitrobenzonitrile + propan-2-ol (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.7b00615 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 3-nitrobenzonitrile + butan-1-ol (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.7b00615 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 3-nitrobenzonitrile + 2-methyl-1-propanol (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.7b00615 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 3-nitrobenzonitrile + ethyl acetate (Datasets: 1)
- Dataset 7 in paper 10.1021/acs.jced.7b00615 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 3-nitrobenzonitrile + acetonitrile (Datasets: 1)
- Dataset 8 in paper 10.1021/acs.jced.7b00615 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 3-nitrobenzonitrile + toluene (Datasets: 1)
- Dataset 9 in paper 10.1021/acs.jced.7b00615 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 3-nitrobenzonitrile + acetone (Datasets: 1)
- Dataset 10 in paper 10.1021/acs.jced.7b00615 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 3-nitrobenzonitrile + cyclohexane (Datasets: 1)
- Dataset 11 in paper 10.1021/acs.jced.7b00615 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 3-nitrobenzonitrile + acetic acid (Datasets: 1)
- Dataset 12 in paper 10.1021/acs.jced.7b00615 (Dataseries: 1, Datapoints: 6, Quantity: Mole fraction)