25410

2-Chloro-4-nitrobenzoic acid

technical, ≥90% (HPLC)

• Linear Formula: ClC₆H₃(NO₂)CO₂H
• CAS Number: 99-60-5
• Molecular Weight: 201.56
• Beilstein: 1912836
• EC Number: 202-771-0
• MDL number: MFCD00007209
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855355

Properties

• grade: technical
• Assay: ≥90% (HPLC)
• mp: 136-140 °C (lit.); 136-140 °C
• solubility: methanol: soluble 0.5 g/10 mL, very faintly turbid, faintly yellow-green
• SMILES string: OC(=O)c1ccc(cc1Cl)[N+]([O-])=O
• InChI: 1S/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
• InChI key: QAYNSPOKTRVZRC-UHFFFAOYSA-N

Description

General description

2-Chloro-4-nitrobenzoic acid is an active pharmaceutical ingredient. Cocrystal of 2-chloro-4-nitrobenzoic acid has been prepared by Kofler hot stage contact method. Degradation of 2-chloro-4-nitrobenzoic acid by Acinetobacter sp. RKJ12 via oxygenolytic dehalogenation has been reported.

Safety Information

• Pictograms: GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H315,H318,H335
• Precautionary Statements: P261 - P280 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 13 - Non Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves