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
• Beilstein: 2507949
• EC Number: 240-603-8
• MDL number: MFCD00007175
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848299

Properties

• Quality Level: 100
• Assay: 98%
• form: solid
• mp: 155-158 °C (lit.)
• solubility: methanol: soluble 250 mg/10 mL, clear, faintly yellow to yellow
• SMILES string: Cc1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O
• 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)
• InChI key: LZWWZQXBKVZKIP-UHFFFAOYSA-N

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. It was used as starting reagent for the asymmetric synthesis of the benzazocine core of FR900482.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315 - H319 - H335
• Precautionary Statements: 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 Code: 11 - 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