Disodium 5-hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonate

Base Information

• Chemical Name: Disodium 5-hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonate
• CAS No.: 85896-02-2
• Molecular Formula: C18H12N2Na2O11S2
• Molecular Weight: 542.40422
• European Community (EC) Number: 288-779-5
• UNII: 6X9XMH95J9
• DSSTox Substance ID: DTXSID70235206
• Mol file: 85896-02-2.mol

Synonyms:85896-02-2;EINECS 288-779-5;Disodium 5-hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonate;Disodium 5-hydroxy-4-[[(3-nitrophenoxy)acetyl]amino]naphthalene-1,7-disulphonate;6X9XMH95J9;DTXSID70235206;C18H14N2O11S2.2Na;C18-H14-N2-O11-S2.2Na;Disodium 5-hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulfonate;1,7-Naphthalenedisulfonic acid, 5-hydroxy-4-[[(3-nitrophenoxy)acetyl]amino]-, disodium salt;1,7-Naphthalenedisulfonic acid, 5-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]-, sodium salt (1:2)

Chemical Property of Disodium 5-hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonate

Chemical Property:

• PSA: 239.03000
• LogP: 5.60950
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 541.96779011
• Heavy Atom Count: 35
• Complexity: 911

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(=C1)OCC(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])O)[N+](=O)[O-].[Na+].[Na+]