4-Methyl-3,5-dinitrobenzoic Acid , >98.0% , 16533-71-4

Synonym(s):
3,5-Dinitro-p-toluic acid;3,5-Dinitro-4-methylbenzoic acid

CAS NO.：16533-71-4

Empirical Formula: C8H6N2O6

Molecular Weight: 226.14

MDL number: MFCD00007175

EINECS: 240-603-8

PRODUCT Properties

• Melting point: 155-158 °C(lit.)
• Boiling point: 396.3±42.0 °C(Predicted)
• Density: 1.593±0.06 g/cm3(Predicted)
• storage temp.: Sealed in dry,Room Temperature
• solubility: methanol: soluble250mg/10 mL, clear, faintly yellow to yellow
• form: Crystalline Powder
• pka: 2.95±0.10(Predicted)
• color: Yellow
• BRN: 2507949
• InChI: 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
• SMILES: C(O)(=O)C1=CC([N+]([O-])=O)=C(C)C([N+]([O-])=O)=C1
• CAS DataBase Reference: 16533-71-4(CAS DataBase Reference)

Description and Uses

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

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HS Code: 29163990