5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid

Base Information

• Chemical Name: 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid
• CAS No.: 83732-86-9
• Molecular Formula: C13H9 N O10 S2
• Molecular Weight: 403.34126
• European Community (EC) Number: 280-638-6
• DSSTox Substance ID: DTXSID40232601
• Nikkaji Number: J296.174A
• Wikidata: Q83113639
• Mol file: 83732-86-9.mol

Synonyms:83732-86-9;5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid;EINECS 280-638-6;2-hydroxy-5-(2-nitro-4-sulfophenyl)sulfonylbenzoic acid;5-[(2-NITRO-4-SULPHOPHENYL)SULPHONYL]SALICYLIC ACID;SCHEMBL10524698;C13H9NO10S2;DTXSID40232601;C13-H9-N-O10-S2;2-Hydroxy-5-[(2-nitro-4-sulfophenyl)sulfonyl]benzoic acid

Chemical Property of 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid

Chemical Property:

• PKA: -2.05±0.50(Predicted)
• PSA: 208.62000
• Density: 1.805g/cm³
• LogP: 3.76290
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 402.96678783
• Heavy Atom Count: 26
• Complexity: 760

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])C(=O)O)O