3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid

Base Information

• Chemical Name: 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid
• CAS No.: 94094-80-1
• Molecular Formula: C12H9N3O8S
• Molecular Weight: 355.28016
• European Community (EC) Number: 302-181-4
• DSSTox Substance ID: DTXSID60240521
• Wikidata: Q83123431
• Mol file: 94094-80-1.mol

Synonyms:94094-80-1;3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid;EINECS 302-181-4;3-[(4-HYDROXYPHENYL)AMINO]-2,6-DINITROBENZENESULFONIC ACID;3-[(4-hydroxyphenyl)amino]-2,6-dinitrobenzenesulphonic acid;DTXSID60240521

Chemical Property of 3-((4-Hydroxyphenyl)amino)-2,6-dinitrobenzenesulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 186.65000
• Density: 1.773g/cm³
• LogP: 4.39910
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 355.01103543
• Heavy Atom Count: 24
• Complexity: 573

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC2=C(C(=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])O