Benzyl Violet 4B

Base Information

• Chemical Name: Benzyl Violet 4B
• CAS No.: 1694-09-3
• Deprecated CAS: 1265631-68-2
• Molecular Formula: C39H41N3O6S2·Na
• Molecular Weight: 734.88
• European Community (EC) Number: 216-901-9
• DSSTox Substance ID: DTXSID7021441
• NCI Thesaurus Code: C95166
• Mol file: 1694-09-3.mol

Synonyms:acid violet 49;Acid Violet 6B;benzyl violet 4B;C.I. 42640;FD and C violet no. 1;food violet No. 2;violet 6B;violet No. 1

Chemical Property of Benzyl Violet 4B

Chemical Property:

• Appearance/Colour: dark violet powder
• Melting Point: 245-250 °C
• Boiling Point: 100ºC
• PSA: 140.65000
• LogP: 8.35040
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 733.22562263
• Heavy Atom Count: 51
• Complexity: 1340

Purity/Quality:

98% ^*data from raw suppliers

BenzylViolet(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 36/37-53

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Di- and Triaryl Dyes
• Canonical SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+]
• Uses: Benzyl Violet is an impuriy of α,α-Bis[4-(dimethylamino)phenyl]-4-(methylamino)-benzenemethanol which is a product from degradation of methyl green.