Acid Orange 45

Base Information

• Chemical Name: Acid Orange 45
• CAS No.: 2429-80-3
• Molecular Formula: C35H27 N5 O9 S3 . 2 Na
• Molecular Weight: 803.83
• European Community (EC) Number: 219-389-5
• DSSTox Substance ID: DTXSID801023990
• Nikkaji Number: J36.007D
• Mol file: 2429-80-3.mol

Synonyms:benzyl orange

Chemical Property of Acid Orange 45

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 258.37000
• Density: g/cm³
• LogP: 11.62770
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 801.06097948
• Heavy Atom Count: 54
• Complexity: 1540

Purity/Quality:

99% ^*data from raw suppliers

SUPRANOL ORANGE RA AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C6C=CC(=CC6=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]