72910

4-Nitrobenzoic acid

purum, ≥98.0% (HPLC)

• Synonym(s): p-Nitrobenzoic acid
• Linear Formula: O₂NC₆H₄CO₂H
• CAS Number: 62-23-7
• Molecular Weight: 167.12
• Beilstein/REAXYS Number: 973593
• EC Number: 200-526-2
• MDL number: MFCD00007352
• UNSPSC Code: 12352100
• PubChem Substance ID: 329764455
• NACRES: NA.22

Properties

• grade: purum
• Quality Level: 200
• assay: ≥98.0% (HPLC)
• form: crystals
• mp: 237-240 °C (lit.); 239-242 °C
• functional group: carboxylic acid; nitro
• SMILES string: OC(=O)c1ccc(cc1)[N+]([O-])=O
• InChI: 1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
• InChI key: OTLNPYWUJOZPPA-UHFFFAOYSA-N

Description

Application

4-Nitrobenzoic acid can be used:

• As a co-catalyst with thioxotetrahydropyrimidinone for the α-alkylation of ketones.
• For the synthesis of mononuclear zinc carboxylate complexes by reacting with zinc sulfate heptahydrate and NaOH.
• As an additive in the room temperature catalytic Wittig reaction.

Safety Information

• pictograms: GHS08,GHS07
• signalword: Warning
• hcodes: H302,H315,H319,H341,H351,H361fd
• pcodes: P202 - P264 - P301 + P312 - P302 + P352 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - Muta. 2 - Repr. 2 - Skin Irrit. 2
• Storage Class: 13 - Non Combustible Solids
• wgk_germany: WGK 2
• ppe: dust mask type N95 (US), Eyeshields, Gloves