Disodium 5-chloro-2-(4-chloro-1-(sulphonatooxy)-2-naphthyl)-7-methoxy-4-methyl-1H-indol-3-yl sulphate

Base Information

• Chemical Name: Disodium 5-chloro-2-(4-chloro-1-(sulphonatooxy)-2-naphthyl)-7-methoxy-4-methyl-1H-indol-3-yl sulphate
• CAS No.: 4086-05-9
• Molecular Formula: C20H14Cl2NNa2O9S2
• Molecular Weight: 593.3414
• European Community (EC) Number: 223-815-5
• DSSTox Substance ID: DTXSID10193831
• Nikkaji Number: J139.441J
• Mol file: 4086-05-9.mol

Synonyms:4086-05-9;EINECS 223-815-5;Disodium 5-chloro-2-(4-chloro-1-(sulphonatooxy)-2-naphthyl)-7-methoxy-4-methyl-1H-indol-3-yl sulphate;DTXSID10193831;KIJRNJKWJKPKAT-UHFFFAOYSA-L;NS00048125

Chemical Property of Disodium 5-chloro-2-(4-chloro-1-(sulphonatooxy)-2-naphthyl)-7-methoxy-4-methyl-1H-indol-3-yl sulphate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 174.64000
• Density: g/cm³
• LogP: 6.45150
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 590.9204173
• Heavy Atom Count: 36
• Complexity: 914

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C2=C1C(=C(N2)C3=C(C4=CC=CC=C4C(=C3)Cl)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC)Cl.[Na+].[Na+]

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