Substance
- Substance Name: 3-methyl-4-nitrobenzoic acid
- Formula: C8H7NO4
- Molecular Weight: 181.15 g/mol
- Identifiers:
- inchi: InChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)
- inchikey: XDTTUTIFWDAMIX-UHFFFAOYSA-N
- casrn: 3113-71-1
- csmiles: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
- ismiles: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
- pubchemId: 18370
- iupacname: 3-methyl-4-nitrobenzoic acid
- wikidataId: Q27277230
- chemspiderId: 17348
- dsstoxcmpId: DTXCID305641
- chemblId: CHEMBL1329280
- ecnumber: 221-479-4
3-methyl-4-nitrobenzoic acid
Systems and Datasets
- 3-methyl-4-nitrobenzoic acid + water (Datasets: 1)
- Dataset 15 in paper 10.1021/acs.jced.7b00431 (Dataseries: 1, Datapoints: 10, Quantity: Mass ratio of solute to solvent)
- 3-methyl-4-nitrobenzoic acid + methanol (Datasets: 2)
- Dataset 16 in paper 10.1021/acs.jced.7b00431 (Dataseries: 1, Datapoints: 11, Quantity: Mass ratio of solute to solvent)
- Dataset 2 in paper 10.1016/j.jct.2016.07.023 (Dataseries: 1, Datapoints: 15, Quantity: Mole fraction)
- 3-methyl-4-nitrobenzoic acid + ethanol (Datasets: 2)
- Dataset 17 in paper 10.1021/acs.jced.7b00431 (Dataseries: 1, Datapoints: 11, Quantity: Mass ratio of solute to solvent)
- Dataset 3 in paper 10.1016/j.jct.2016.07.023 (Dataseries: 1, Datapoints: 15, Quantity: Mole fraction)
- 3-methyl-4-nitrobenzoic acid + propan-1-ol (Datasets: 2)
- Dataset 18 in paper 10.1021/acs.jced.7b00431 (Dataseries: 1, Datapoints: 11, Quantity: Mass ratio of solute to solvent)
- Dataset 4 in paper 10.1016/j.jct.2016.07.023 (Dataseries: 1, Datapoints: 15, Quantity: Mole fraction)
- 3-methyl-4-nitrobenzoic acid + formic acid (Datasets: 1)
- Dataset 19 in paper 10.1021/acs.jced.7b00431 (Dataseries: 1, Datapoints: 11, Quantity: Mass ratio of solute to solvent)
- 3-methyl-4-nitrobenzoic acid + acetic acid (Datasets: 1)
- Dataset 20 in paper 10.1021/acs.jced.7b00431 (Dataseries: 1, Datapoints: 11, Quantity: Mass ratio of solute to solvent)
- 3-methyl-4-nitrobenzoic acid + propanoic acid (Datasets: 1)
- Dataset 21 in paper 10.1021/acs.jced.7b00431 (Dataseries: 1, Datapoints: 11, Quantity: Mass ratio of solute to solvent)
- 3-methyl-4-nitrobenzoic acid (Datasets: 1)
- Dataset 1 in paper 10.1016/j.jct.2016.07.023 (Dataseries: 1, Datapoints: 1, Quantity: Mass density)
- propan-2-ol + 3-methyl-4-nitrobenzoic acid (Datasets: 1)
- Dataset 5 in paper 10.1016/j.jct.2016.07.023 (Dataseries: 1, Datapoints: 15, Quantity: Mole fraction)
- ethyl acetate + 3-methyl-4-nitrobenzoic acid (Datasets: 1)
- Dataset 6 in paper 10.1016/j.jct.2016.07.023 (Dataseries: 1, Datapoints: 15, Quantity: Mole fraction)
- acetone + 3-methyl-4-nitrobenzoic acid (Datasets: 1)
- Dataset 7 in paper 10.1016/j.jct.2016.07.023 (Dataseries: 1, Datapoints: 15, Quantity: Mole fraction)
- acetonitrile + 3-methyl-4-nitrobenzoic acid (Datasets: 1)
- Dataset 8 in paper 10.1016/j.jct.2016.07.023 (Dataseries: 1, Datapoints: 15, Quantity: Mole fraction)
- toluene + 3-methyl-4-nitrobenzoic acid (Datasets: 1)
- Dataset 9 in paper 10.1016/j.jct.2016.07.023 (Dataseries: 1, Datapoints: 15, Quantity: Mole fraction)
- butan-1-ol + 3-methyl-4-nitrobenzoic acid (Datasets: 1)
- Dataset 10 in paper 10.1016/j.jct.2016.07.023 (Dataseries: 1, Datapoints: 15, Quantity: Mole fraction)
- 1,4-dioxane + 3-methyl-4-nitrobenzoic acid (Datasets: 1)
- Dataset 11 in paper 10.1016/j.jct.2016.07.023 (Dataseries: 1, Datapoints: 15, Quantity: Mole fraction)
- N-methylpyrrolidone + 3-methyl-4-nitrobenzoic acid (Datasets: 1)
- Dataset 12 in paper 10.1016/j.jct.2016.07.023 (Dataseries: 1, Datapoints: 15, Quantity: Mole fraction)
- dimethylformamide + 3-methyl-4-nitrobenzoic acid (Datasets: 1)
- Dataset 13 in paper 10.1016/j.jct.2016.07.023 (Dataseries: 1, Datapoints: 15, Quantity: Mole fraction)
- cyclohexane + 3-methyl-4-nitrobenzoic acid (Datasets: 1)
- Dataset 14 in paper 10.1016/j.jct.2016.07.023 (Dataseries: 1, Datapoints: 1, Quantity: Mole fraction)
- 1,1,2,2-tetrachloroethane + 3-methyl-4-nitrobenzoic acid (Datasets: 1)
- Dataset 15 in paper 10.1016/j.jct.2016.07.023 (Dataseries: 1, Datapoints: 1, Quantity: Mole fraction)
- methanol + 1,4-dioxane + 3-methyl-4-nitrobenzoic acid (Datasets: 1)
- Dataset 1 in paper 10.1016/j.jct.2016.10.019 (Dataseries: 9, Datapoints: 135, Quantity: Mole fraction)
- methanol + N-methylpyrrolidone + 3-methyl-4-nitrobenzoic acid (Datasets: 1)
- Dataset 2 in paper 10.1016/j.jct.2016.10.019 (Dataseries: 9, Datapoints: 135, Quantity: Mole fraction)
- methanol + dimethylformamide + 3-methyl-4-nitrobenzoic acid (Datasets: 1)
- Dataset 3 in paper 10.1016/j.jct.2016.10.019 (Dataseries: 9, Datapoints: 135, Quantity: Mole fraction)