Pentasodium 3-((4-((4-((4-chloro-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonato-1-naphthyl)azo)-6-sulphonato-1-naphthyl)azo)naphthalene-1,5-disulphonate

Base Information

• Chemical Name: Pentasodium 3-((4-((4-((4-chloro-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonato-1-naphthyl)azo)-6-sulphonato-1-naphthyl)azo)naphthalene-1,5-disulphonate
• CAS No.: 81430-40-2
• Molecular Formula: C41H25ClN9Na5O18S6
• Molecular Weight: 1274.4785
• European Community (EC) Number: 279-762-3
• Mol file: 81430-40-2.mol

Synonyms:EINECS 279-762-3;81430-40-2;Pentasodium 3-((4-((4-((4-chloro-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonato-1-naphthyl)azo)-6-sulphonato-1-naphthyl)azo)naphthalene-1,5-disulphonate;Pentasodium 3-[[4-[[4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphonato-1-naphthyl]azo]-6-sulphonato-1-naphthyl]azo]naphthalene-1,5-disulphonate;C41H30ClN9O18S6.5Na;C41-H30-Cl-N9-O18-S6.5Na

Chemical Property of Pentasodium 3-((4-((4-((4-chloro-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonato-1-naphthyl)azo)-6-sulphonato-1-naphthyl)azo)naphthalene-1,5-disulphonate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 498.28000
• Density: g/cm³
• LogP: 11.49810
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 12
• Exact Mass: 1272.8818811
• Heavy Atom Count: 80
• Complexity: 2690

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)[O-])NC2=NC(=NC(=N2)Cl)NC3=C4C(=C(C=C3)N=NC5=C6C=C(C=CC6=C(C=C5)N=NC7=CC8=C(C=CC=C8S(=O)(=O)[O-])C(=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC=C4S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

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