5-Amino-2-phenylbenzenesulfonic acid

Base Information

• Chemical Name: 5-Amino-2-phenylbenzenesulfonic acid
• CAS No.: 340700-78-9
• Molecular Formula: C12H11NO3S
• Molecular Weight: 249.28564
• DSSTox Substance ID: DTXSID00700270
• Wikidata: Q82631519
• Mol file: 340700-78-9.mol

Synonyms:5-AMINO-2-PHENYLBENZENESULFONIC ACID;340700-78-9;SCHEMBL9449481;DTXSID00700270;4-Amino[1,1'-biphenyl]-2-sulfonic acid

Chemical Property of 5-Amino-2-phenylbenzenesulfonic acid

Chemical Property:

• PKA: -0.72±0.18(Predicted)
• PSA: 88.77000
• Density: 1.386±0.06 g/cm3(Predicted)
• LogP: 3.84450
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 249.04596439
• Heavy Atom Count: 17
• Complexity: 343

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2)N)S(=O)(=O)O