C.I. Orange 46, calcium salt

Base Information

• Chemical Name: C.I. Orange 46, calcium salt
• CAS No.: 67801-03-0
• Molecular Formula: C36H28CaCl2N4O8S2
• Molecular Weight: 819.7435
• DSSTox Substance ID: DTXSID0070609
• Mol file: 67801-03-0.mol

Synonyms:C.I. Orange 46, calcium salt;67801-03-0;DTXSID0070609;Benzenesulfonic acid, 5-chloro-4-ethyl-2-((2-hydroxy-1-naphthalenyl)azo)-, calcium salt (2:1);Benzenesulfonic acid, 5-chloro-4-ethyl-2-(2-(2-hydroxy-1-naphthalenyl)diazenyl)-, calcium salt (2:1)

Chemical Property of C.I. Orange 46, calcium salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 214.08000
• Density: g/cm³
• LogP: 8.74480
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 818.0351524
• Heavy Atom Count: 53
• Complexity: 596

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.[Ca+2]