6-Amino-4-hydroxy-5-((4-(((4-methyl-2-sulphophenyl)amino)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid

Base Information

• Chemical Name: 6-Amino-4-hydroxy-5-((4-(((4-methyl-2-sulphophenyl)amino)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid
• CAS No.: 94042-72-5
• Molecular Formula: C23H20 N4 O9 S3
• Molecular Weight: 592.6213
• European Community (EC) Number: 301-737-3
• DSSTox Substance ID: DTXSID90916606
• Nikkaji Number: J349.032G
• Wikidata: Q82887885
• Mol file: 94042-72-5.mol

Synonyms:94042-72-5;EINECS 301-737-3;6-Amino-4-hydroxy-5-((4-(((4-methyl-2-sulphophenyl)amino)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid;6-amino-4-hydroxy-5-[[4-[[(4-methyl-2-sulphophenyl)amino]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid;DTXSID90916606;C23H20N4O9S3;C23-H20-N4-O9-S3;6-AMINO-4-HYDROXY-5-[[4-[[(4-METHYL-2-SULFOPHENYL)AMINO]SULFONYL]PHENYL]AZO]NAPHTHALENE-2-SULFONIC ACID;6-Amino-4-hydroxy-5-[[4-[[(4-methyl-2-sulfophenyl)amino]sulfonyl]phenyl]azo]-2-naphthalenesulfonic acid;6-Imino-5-(2-{4-[(4-methyl-2-sulfophenyl)sulfamoyl]phenyl}hydrazinyl)-4-oxo-4,6-dihydronaphthalene-2-sulfonic acid

Chemical Property of 6-Amino-4-hydroxy-5-((4-(((4-methyl-2-sulphophenyl)amino)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 245.03000
• Density: 1.68g/cm³
• LogP: 5.96250
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 592.03924175
• Heavy Atom Count: 39
• Complexity: 1200

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)O)N)S(=O)(=O)O