8.00645

3-Nitrobenzoic acid

for synthesis

• Synonym(e): 3-Nitrobenzoic acid
• Lineare Formel: 3-(NO₂)C₆H₄COOH
• CAS-Nummer: 121-92-6
• Molekulargewicht: 167.12
• UNSPSC Code: 12352106
• EC Index Number: 204-508-5
• NACRES: NA.22
• MDL number: MFCD00007251
• Assay: ≥99% (HPLC)
• Form: crystals

Eigenschaften

• Quality Level: 200
• assay: ≥99% (HPLC)
• form: crystals
• autoignition temp.: 490 °C
• pH: 3 (20 °C, 5 g/L in H₂O, aqueous suspension)
• mp: 139-142 °C
• transition temp: flash point 190 °C
• solubility: 3 g/L
• density: 1.49 g/cm³ at 20 °C
• bulk density: 700 kg/m³
• storage temp.: no temp limit
• SMILES string: [N+](=O)([O-])c1cc(ccc1)C(=O)O
• InChI: 1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
• InChI key: AFPHTEQTJZKQAQ-UHFFFAOYSA-N

Beschreibung

Application

• CO–CRYSTAL SYNTHESIS AND STRUCTURAL ANALYSIS OF PARACETAMOL AND 3–NITROBENZOIC ACID: This study focuses on the co-crystallization of paracetamol with 3-nitrobenzoic acid, providing insights into the structural dynamics of the resulting compound (PP Chahande, 2023).
• Photocatalytic degradation of methylene blue dye and electrocatalytic water oxidation over copper (II) complex with mixed ligands: This study explores the use of a copper (II) complex with 3-nitrobenzoic acid in photocatalytic degradation and electrocatalytic water oxidation (M Jamil et al., 2024).

Analysis Note

Assay (HPLC, area%): ≥ 99 %
Melting range
- lower value:
≥ 139 °C
- upper value: ≤ 143 °C
Identity (IR): passes test

Sicherheitshinweise

• pictograms: GHS07
• signalword: Warning
• hcodes: H319
• pcodes: P264 - P280 - P305 + P351 + P338 - P337 + P313
• Hazard Classifications: Eye Irrit. 2
• Lagerklasse: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: 373.3 °F - Pensky-Martens closed cup
• flash_point_c: 189.6 °C - Pensky-Martens closed cup