Acid Brown 15

Base Information

• Chemical Name: Acid Brown 15
• CAS No.: 5850-15-7
• Molecular Formula: C22H16 N4 O8 S2 . 2 Na
• Molecular Weight: 572.47
• European Community (EC) Number: 227-446-0
• Mol file: 5850-15-7.mol

Synonyms:Acid Brown 15;5850-15-7;disodium;4-[(2E)-2-[(5Z)-4,6-dioxo-5-[(4-sulfonatophenyl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate;SCHEMBL17186090

Chemical Property of Acid Brown 15

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 221.06000
• Density: g/cm³
• LogP: 7.05160
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 572.00484433
• Heavy Atom Count: 38
• Complexity: 1150

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=CC(=O)C(=NNC4=CC=C(C=C4)S(=O)(=O)[O-])C3=O.[Na+].[Na+]
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N/N=C/3\C=CC(=O)/C(=N/NC4=CC=C(C=C4)S(=O)(=O)[O-])/C3=O.[Na+].[Na+]