Disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate

Base Information

• Chemical Name: Disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate
• CAS No.: 4553-89-3
• Molecular Formula: C27H20N4O9S2.2Na
• Molecular Weight: 652.56300
• European Community (EC) Number: 224-924-0
• Wikipedia: Brown_HT
• Wikidata: Q424541
• Mol file: 4553-89-3.mol

Synonyms:4,4'-((2,4-dihydroxy-5-(hydroxymethyl)-m-phenylene)bis(azo))di-1-naphthalenesulfonic acid, disodium salt;Brown HT;C.I. 20285;Chocolate Brown HT

Chemical Property of Disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• PSA: 241.29000
• Density: 0.816[at 20℃]
• LogP: 7.69710
• Storage Temp.: Hygroscopic, Refrigerator, Under inert atmosphere
• Solubility.: DMSO (Slightly, Heated, Sonicated), Methanol (Slightly)
• Water Solubility.: 99.418g/L at 25℃
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 5
• Exact Mass: 652.03105908
• Heavy Atom Count: 44
• Complexity: 1350

Purity/Quality:

99.9% ^*data from raw suppliers

ChocolateBrownHT(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C(=O)C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)[O-])C3=O)CO.[Na+].[Na+]
• Uses: Chocolate Brown HT (CAS# 4553-89-3) is a synthetic organic food colourant, and a long-term carcinogen.