4-Amino-2-nitrodiphenylamine-2'-carboxylic acid

Base Information

• Chemical Name: 4-Amino-2-nitrodiphenylamine-2'-carboxylic acid
• CAS No.: 117907-43-4
• Molecular Formula: C13H11N3O4
• Molecular Weight: 273.24
• European Community (EC) Number: 411-260-3
• UNII: GZJ1P1FS40
• DSSTox Substance ID: DTXSID70151952
• Wikidata: Q27279379
• Mol file: 117907-43-4.mol

Synonyms:117907-43-4;4-Amino-2-nitrodiphenylamine-2'-carboxylic acid;2-((4-Amino-2-nitrophenyl)amino)benzoic acid;2-(4-amino-2-nitroanilino)benzoic acid;UNII-GZJ1P1FS40;GZJ1P1FS40;Benzoic acid, 2-((4-amino-2-nitrophenyl)amino)-;4-Amino-2-nitrodiphenylamine-2'-carboxylic acid [INCI];4-Amino-2-nitrodiphenylamine-2/'-carboxylic acid;Benzoic acid, 2-[(4-amino-2-nitrophenyl)amino]-;SCHEMBL23567;DTXSID70151952;AKOS015914332;2-((4-Amino-2-nitrophenyl)amino)benzoicacid;3-(2-AMINOPROPYL)INDOLEMONOHYDROCHLORIDE;4-AMINO-2-NITRODIPHENYLAMINE-2-CARBOXYLICACID;Q27279379

Chemical Property of 4-Amino-2-nitrodiphenylamine-2'-carboxylic acid

Chemical Property:

• Boiling Point: 498.174 °C at 760 mmHg
• PKA: 3.62±0.36(Predicted)
• Flash Point: 255.087 °C
• PSA: 121.17000
• Density: 1.5 g/cm³
• LogP: 3.79620
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 273.07495584
• Heavy Atom Count: 20
• Complexity: 371

Purity/Quality:

99.9% ^*data from raw suppliers

4-Amino-2-nitrodiphenylamine-2'-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41-43-52/53
• Safety Statements: 24-26-37/39-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=C(C=C(C=C2)N)[N+](=O)[O-]