3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid

Base Information

• Chemical Name: 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid
• CAS No.: 71411-88-6
• Molecular Formula: C16H13 N O9 S3
• Molecular Weight: 459.47072
• European Community (EC) Number: 275-394-2
• DSSTox Substance ID: DTXSID30991755
• Nikkaji Number: J294.987C
• Wikidata: Q82981662
• Mol file: 71411-88-6.mol

Synonyms:71411-88-6;EINECS 275-394-2;3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid;3-amino-4-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonic acid;DTXSID30991755;3-Amino-4-[(phenylsulfonyl)oxy]-2,7-naphthalenedisulfonic acid;3-AMINO-4-[(BENZENESULFONYL)OXY]NAPHTHALENE-2,7-DISULFONIC ACID

Chemical Property of 3-Amino-4-((phenylsulphonyl)oxy)naphthalene-2,7-disulphonic acid

Chemical Property:

• PSA: 203.27000
• Density: 1.733g/cm³
• LogP: 5.50670
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 458.97524451
• Heavy Atom Count: 29
• Complexity: 893

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC(=CC3=CC(=C2N)S(=O)(=O)O)S(=O)(=O)O