2-Cyano-3-nitrobenzoic acid

Base Information

• Chemical Name: 2-Cyano-3-nitrobenzoic acid
• CAS No.: 1260834-31-8
• Molecular Formula: C8H4N2O4
• Molecular Weight: 192.13
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID20697219
• Wikidata: Q82627026
• Mol file: 1260834-31-8.mol

Synonyms:2-CYANO-3-NITROBENZOIC ACID;1260834-31-8;nitrocyanobenzoic acid;DTXSID20697219;2-CYANO-3-NITROBENZOICACID;MFCD09745182;AKOS006332433;CS-W021680;DS-4920;O10761;A889768

Chemical Property of 2-Cyano-3-nitrobenzoic acid

Chemical Property:

• PSA: 106.91000
• LogP: 1.68788
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 192.01710661
• Heavy Atom Count: 14
• Complexity: 300

Purity/Quality:

98%min ^*data from raw suppliers

2-cyano-3-nitrobenzoicacid 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)C(=O)O