5-Methoxy-2-nitrosulphanilic acid

Base Information

• Chemical Name: 5-Methoxy-2-nitrosulphanilic acid
• CAS No.: 71720-50-8
• Molecular Formula: C7H8 N2 O6 S
• Molecular Weight: 248.21322
• European Community (EC) Number: 275-899-8
• UNII: VP4FHW6FBC
• DSSTox Substance ID: DTXSID10221941
• Nikkaji Number: J295.052I
• Wikidata: Q83099997
• Mol file: 71720-50-8.mol

Synonyms:5-Methoxy-2-nitrosulphanilic acid;71720-50-8;EINECS 275-899-8;4-Amino-5-methoxy-2-nitrobenzenesulfonic acid;VP4FHW6FBC;SCHEMBL9354657;DTXSID10221941;TVPOUNICERMHNR-UHFFFAOYSA-N;NS00037282;Benzenesulfonic acid, 4-amino-5-methoxy-2-nitro-

Chemical Property of 5-Methoxy-2-nitrosulphanilic acid

Chemical Property:

• PKA: -1.99±0.50(Predicted)
• PSA: 143.82000
• Density: 1.651g/cm³
• LogP: 2.61750
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 248.01030715
• Heavy Atom Count: 16
• Complexity: 358

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1N)[N+](=O)[O-])S(=O)(=O)O

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