136883

4-Methyl-3,5-dinitrobenzoesäure

98%

• Synonym(e): 3,5-Dinitro-4-methyl-benzoesäure, 3,5-Dinitro-p-toluylsäure
• Lineare Formel: (O₂N)₂C₆H₂(CH₃)CO₂H
• CAS-Nummer: 16533-71-4
• Molekulargewicht: 226.14
• Beilstein: 2507949
• EG-Nummer: 240-603-8
• MDL-Nummer: MFCD00007175
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24848299
• NACRES: NA.22

Eigenschaften

• Qualitätsniveau: 100
• Assay: 98%
• Form: solid
• mp (Schmelzpunkt): 155-158 °C (lit.)
• Löslichkeit: methanol: soluble 250 mg/10 mL, clear, faintly yellow to yellow
• Funktionelle Gruppe: carboxylic acid; nitro
• 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)
• InChIKey: LZWWZQXBKVZKIP-UHFFFAOYSA-N

Beschreibung

Anwendung

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.

Sicherheitshinweise

• Piktogramme: GHS07
• Signalwort: Warning
• H-Sätze: H315,H319,H335
• P-Sätze: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Gefahreneinstufungen: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Zielorgane: Respiratory system
• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Persönliche Schutzausrüstung: dust mask type N95 (US), Eyeshields, Gloves