Einecs 278-617-1

Base Information

• Chemical Name: Einecs 278-617-1
• CAS No.: 77093-20-0
• Molecular Formula: C26H18 Cl N7 O15 S4
• Molecular Weight: 832.17202
• European Community (EC) Number: 278-617-1
• DSSTox Substance ID: DTXSID801101639
• Nikkaji Number: J285.390F
• Mol file: 77093-20-0.mol

Synonyms:EINECS 278-617-1;77093-20-0;2-((4-Chloro-6-((8-hydroxy-3,6-disulpho-7-((2-sulphophenyl)azo)-1-naphthyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphobenzoic acid;2-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid;2-[[4-chloro-6-[[8-hydroxy-3,6-disulpho-7-[(2-sulphophenyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphobenzoic acid;C26H18ClN7O15S4;SCHEMBL13991457;DTXSID801101639;C26-H18-Cl-N7-O15-S4;2-[[4-Chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfophenyl)azo]-1-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid;2-[[4-Chloro-6-[[8-hydroxy-3,6-disulfo-7-[2-(2-sulfophenyl)diazenyl]-1-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid;Benzoic acid, 2-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfophenyl)azo]-1-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfo-

Chemical Property of Einecs 278-617-1

Chemical Property:

• PSA: 398.95000
• Density: 2.02g/cm³
• LogP: 5.58360
• XLogP3: 3
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 11
• Exact Mass: 830.9432253
• Heavy Atom Count: 53
• Complexity: 1800

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)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=C(C=C(C=C5)S(=O)(=O)O)C(=O)O)Cl)O)S(=O)(=O)O