4-(p-Aminoanilino)-3-nitrobenzenesulphonic acid

Base Information

• Chemical Name: 4-(p-Aminoanilino)-3-nitrobenzenesulphonic acid
• CAS No.: 135-11-5
• Deprecated CAS: 1427742-42-4
• Molecular Formula: C12H11N3O5S
• Molecular Weight: 309.30
• European Community (EC) Number: 205-175-9
• UNII: 4SQ5W4K7XF
• DSSTox Substance ID: DTXSID7059646
• Nikkaji Number: J64.442K
• Wikidata: Q72437801
• Mol file: 135-11-5.mol

Synonyms:135-11-5;4-(4-Aminoanilino)-3-nitrobenzenesulphonic acid;4-(4-aminoanilino)-3-nitrobenzenesulfonic acid;4-(p-Aminoanilino)-3-nitrobenzenesulphonic acid;Benzenesulfonic acid, 4-[(4-aminophenyl)amino]-3-nitro-;EINECS 205-175-9;2-Nitro-4'-aminodiphenylamine-4-sulfonicacid;4'-amino-2-nitrodiphenylamine-4-sulfonic acid;Benzenesulfonic acid, 4-((4-aminophenyl)amino)-3-nitro-;2-Nitro-4'-aminodiphenylamine-4-sulfonic acid;4SQ5W4K7XF;4-(4-aminoanilino)-3-nitro-benzenesulfonic acid;SCHEMBL3240949;DTXSID7059646;FT-0733695;A806886;3-Nitro-4-(4-aminophenylamino)benzenesulfonic acid;4-(4-aminophenylamino)-3-nitrobenzenesulfonic acid;W-109480;4-[(4-AMINOPHENYL)AMINO]-3-NITROBENZENESULFONIC ACID

Chemical Property of 4-(p-Aminoanilino)-3-nitrobenzenesulphonic acid

Chemical Property:

• Refractive Index: 1.709
• PKA: -0.90±0.50(Predicted)
• PSA: 146.62000
• Density: 1.608 g/cm³
• LogP: 4.42550
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 309.04194163
• Heavy Atom Count: 21
• Complexity: 464

Purity/Quality:

99.9% ^*data from raw suppliers

2-NITRO-4'-AMINODIPHENYLAMINE-4-SULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]
• Uses: 2-Nitro-4''-aminodiphenylamine-4-sulfonic Acid is a reagent used in the synthesis of disazo dyes.