Benzethonium

Base Information

• Chemical Name: Benzethonium
• CAS No.: 498-77-1
• Molecular Formula: C27H42NO2.HO
• Molecular Weight: 412.62800
• European Community (EC) Number: 684-540-8
• UNII: 1VU15B70BP
• DSSTox Substance ID: DTXSID5046984
• Nikkaji Number: J193.052D
• Wikidata: Q27166518
• NCI Thesaurus Code: C87255
• RXCUI: 1390
• Metabolomics Workbench ID: 152458
• ChEMBL ID: CHEMBL1182210
• Mol file: 498-77-1.mol

Synonyms:Bencetonium Chloride;Benzethonium;Benzethonium Chloride;Chloride, Bencetonium;Chloride, Benzethonium;Formula Magic;Hyamine 1622;Magic, Formula;Orchid Fresh II;Phemeride;Phemerol;Phemethryn;Puri Clens;Puri-Clens;PuriClens;Quatrachlor;Solamin

Chemical Property of Benzethonium

Chemical Property:

• Flash Point: 11oC
• PSA: 18.46000
• LogP: 6.07240
• Storage Temp.: 2-8°C
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 412.321554582
• Heavy Atom Count: 30
• Complexity: 466

Purity/Quality:

99% ^*data from raw suppliers

Benzethonium hydroxide solution ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/24/25-34-39/23/24/25-35
• Safety Statements: 7-16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2
• Uses: Benzethonium hydroxide solution is a solution used in scintillation experiments.