Substance
- Substance Name: 1,3-dimethyl-4-nitrobenzene
- Formula: C8H9NO2
- Molecular Weight: 151.16 g/mol
- Identifiers:
- inchi: InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3
- inchikey: BBUPBICWUURTNP-UHFFFAOYSA-N
- casrn: 89-87-2
- csmiles: CC1=CC(=C(C=C1)[N+](=O)[O-])C
- ismiles: CC1=CC(=C(C=C1)[N+](=O)[O-])C
- pubchemId: 6991
- iupacname: 2,4-dimethyl-1-nitrobenzene
- wikidataId: Q27268162
- chemspiderId: 6725
- dsstoxcmpId: DTXCID605135
- chemblId: CHEMBL3182934
- ecnumber: 201-947-4
1,3-dimethyl-4-nitrobenzene
Systems and Datasets
- 1,3-dimethyl-4-nitrobenzene + water + 2-furaldehyde (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.8b00335 (Dataseries: 1, Datapoints: 8, Quantity: Mass fraction)
- 1,3-dimethyl-4-nitrobenzene + water + formic acid (Datasets: 1)
- Dataset 15 in paper 10.1021/acs.jced.8b00335 (Dataseries: 1, Datapoints: 5, Quantity: Mass fraction)
- 1,3-dimethyl-4-nitrobenzene + water (Datasets: 2)
- Dataset 25 in paper 10.1021/acs.jced.8b00335 (Dataseries: 1, Datapoints: 1, Quantity: Mass fraction)
- Dataset 26 in paper 10.1021/acs.jced.8b00335 (Dataseries: 1, Datapoints: 1, Quantity: Mass fraction)
- 4-oxopentanoic acid + water + 1,3-dimethyl-4-nitrobenzene (Datasets: 1)
- Dataset 38 in paper 10.1021/acs.jced.8b00335 (Dataseries: 1, Datapoints: 1, Quantity: Mass fraction)