211427

3,5-Dinitro-o-toluic acid

98%

• Linear Formula: (O₂N)₂C₆H₂(CH₃)CO₂H
• CAS Number: 28169-46-2
• Molecular Weight: 226.14
• EC Number: 248-880-7
• MDL number: MFCD00007161
• UNSPSC Code: 12352100
• PubChem Substance ID: 24852687
• NACRES: NA.22

Properties

• assay: 98%
• mp: 205-207 °C (lit.)
• functional group: carboxylic acid; nitro
• SMILES string: Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
• InChI: 1S/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)
• InChI key: CDVNZMKTJIBBBV-UHFFFAOYSA-N

Description

General description

Synthesis of a series of heterocyclic derivatives of 3,5-dinitro-o-toluic acid has been reported.

Application

3,5-Dinitro-o-toluic acid was used in the synthesis of isoquinolone.

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_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves