2-(4-Hydroxy-3-nitro-benzenesulfonylamino)-benzoic acid

Base Information

• Chemical Name: 2-(4-Hydroxy-3-nitro-benzenesulfonylamino)-benzoic acid
• CAS No.: 131971-24-9
• Molecular Formula: C13H10N2O7S
• Molecular Weight: 338.29300
• DSSTox Substance ID: DTXSID40396151
• Nikkaji Number: J30.730K
• Mol file: 131971-24-9.mol

Synonyms:131971-24-9;2-(4-Hydroxy-3-nitro-benzenesulfonylamino)-benzoic acid;2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid;2-[(4-Hydroxy-3-nitrobenzene)sulfonamido]benzoic acid;2-(4-hydroxy-3-nitrobenzenesulfonamido)benzoic acid;2-(4-Hydroxy-3-nitrophenylsulfonamido)benzoic acid;2-(4-hydroxy-3-nitrobenzenesulfonylamino)benzoic acid;DTXSID40396151;KJEWEPKDQIOROF-UHFFFAOYSA-N;MFCD02708220;AKOS000114679;SB83346;BS-20658;CS-0444413;EN300-00324;F15508;2-(4-Hydroxy-3-nitrophenylsulfonamido)benzoicacid;SR-01000029287;J-506013;SR-01000029287-1;2-((4-Hydroxy-3-nitrophenyl)sulfonamido)benzoic acid;Z45511901;2-(4-Hydroxy-3-nitrophenylsulfonylamino)benzenecarboxylic acid

Chemical Property of 2-(4-Hydroxy-3-nitro-benzenesulfonylamino)-benzoic acid

Chemical Property:

• Boiling Point: 557.4±60.0 °C(Predicted)
• PKA: 3.21±0.36(Predicted)
• PSA: 157.90000
• Density: 1.680±0.06 g/cm3(Predicted)
• LogP: 3.47640
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 338.02087184
• Heavy Atom Count: 23
• Complexity: 554

Purity/Quality:

99%, ^*data from raw suppliers

2-[(4-Hydroxy-3-nitrobenzene)sulfonamido]benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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