136883

4-Methyl-3,5-dinitrobenzoic acid

98%

• Synonym(s): 3,5-Dinitro-4-methylbenzoic acid, 3,5-Dinitro-p-toluic acid
• Linear Formula: (O₂N)₂C₆H₂(CH₃)CO₂H
• CAS Number: 16533-71-4
• Molecular Weight: 226.14
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24848299
• EC Number: 240-603-8
• Beilstein/REAXYS Number: 2507949
• MDL number: MFCD00007175
• Assay: 98%
• Form: solid

Properties

• Product Name: 4-Methyl-3,5-dinitrobenzoic acid, 98%
• InChI key: LZWWZQXBKVZKIP-UHFFFAOYSA-N
• InChI: 1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)
• SMILES string: Cc1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O
• assay: 98%
• form: solid
• mp: 155-158 °C (lit.)
• solubility: methanol: soluble 250 mg/10 mL, clear, faintly yellow to yellow
• functional group: carboxylic acid; nitro
• Quality Level: 100

Description

Application

4-Methyl-3,5-dinitrobenzoic acid was used in characterization of the range of highly polar nitroaromatic compounds in water samples from a trinitrotoluene-contaminated waste disposal site[1]. It was used as starting reagent for the asymmetric synthesis of the benzazocine core of FR900482[2].

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - 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