Chemical Property of 3-Nitrophthalic acid
Chemical Property:
- Appearance/Colour:pale yellow crystals
- Vapor Pressure:1.45E-08mmHg at 25°C
- Melting Point:210 °C (dec.)(lit.)
- Refractive Index:1.5282 (estimate)
- Boiling Point:441.3 °C at 760 mmHg
- PKA:pK1:1.88 (25°C)
- Flash Point:199.4 °C
- PSA：120.42000
- Density:1.671 g/cm3
- LogP:1.51440
- Storage Temp.:Refrigerator
- Solubility.:water: soluble5%, clear to slightly hazy, colorless to faint yel
- Water Solubility.:20 g/L (25 ºC)
- XLogP3:0.7
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:6
- Rotatable Bond Count:2
- Exact Mass:211.01168688
- Heavy Atom Count:15
- Complexity:296
- Purity/Quality:
-
99.0% min *data from raw suppliers
3-Nitrophthalic Acid *data from reagent suppliers
Safty Information:
- Pictogram(s):
Xi
- Hazard Codes:Xi
- Statements:
36/37/38-41
- Safety Statements:
26-36/39-37/39-36
- MSDS Files:
-
SDS file from LookChem
Useful:
- Chemical Classes:Nitrogen Compounds -> Nitrobenzoic Acids
- Canonical SMILES:C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
-
Uses
3-Nitrophthalic Acid is a useful chemical in organic synthesis. It is also an impurity of Apremilast. 3-Nitrophthalic acid may be used as starting reagent in the synthesis of modified 2-iodoxybenzoic acid derivatives. It may be used in the synthesis of brucinium 2-carboxy-6-nitrophthalate dihydrate (systematic name: 2,3-dimethoxy-10-oxostrychnidinium 2-carboxy-6-nitrophthalate dihydrate), via heating with brucine.
