121258

3,5-Dinitrobenzoic acid

99%

• Synonym(s): DNBA
• Linear Formula: (O₂N)₂C₆H₃CO₂H
• CAS Number: 99-34-3
• Molecular Weight: 212.12
• Beilstein/REAXYS Number: 1914286
• EC Number: 202-751-1
• MDL number: MFCD00007253
• UNSPSC Code: 12352100
• eCl@ss: 39032062
• PubChem Substance ID: 24847456
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: 99%
• form: solid
• mp: 204-206 °C (lit.)
• solubility: ethanol: soluble 0.5 g/10 mL, clear, yellow to very deep greenish-yellow
• functional group: carboxylic acid; nitro
• SMILES string: OC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
• InChI: 1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)
• InChI key: VYWYYJYRVSBHJQ-UHFFFAOYSA-N

Description

General description

3,5-Dinitrobenzoic acid forms an adduct with 3,5-dimethylpyridine and the crystal structure of adduct has been studied at room temperature and 80K for both undeuterated and deuterated compounds. It forms 1:1 cocrystal with analgesic drug, ethenzamide and exists in two polymorphic forms.

Application

3,5-Dinitrobenzoic acid was used in the derivatization of resins and determination of ampicillin.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302,H315,H319,H335,H413
• pcodes: P261 - P264 - P273 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 4 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves