369306

3-Nitrophthalic acid

95%

• Linear Formula: O₂NC₆H₃-1,2-(CO₂H)₂
• CAS Number: 603-11-2
• Molecular Weight: 211.13
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24862954
• EC Number: 210-030-8
• Beilstein/REAXYS Number: 2054269
• MDL number: MFCD00007138
• Assay: 95%

Properties

• Quality Segment: 200
• assay: 95%
• mp: 210 °C (dec.) (lit.)
• solubility: water: soluble 5%, clear to slightly hazy, colorless to faintly yellow
• functional group: carboxylic acid, nitro
• SMILES string: OC(=O)c1cccc(c1C(O)=O)[N+]([O-])=O
• InChI: 1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)
• InChI key: KFIRODWJCYBBHY-UHFFFAOYSA-N

Description

General description

3-Nitrophthalic acid is a degradation product of isoxaben herbicide.[1]It acts as ligand and forms rare-earth complexes with La, Nd, Eu, Tb, Er and Y.[2] Preparation of 3-nitrophthalic acid has been reported.

Application

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.

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H315,H318,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves