1H-Benzimidazolium, 1,2-dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt

Base Information

• Chemical Name: 1H-Benzimidazolium, 1,2-dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt
• CAS No.: 63815-69-0
• Molecular Formula: C14H17 F3 N2 O3 S
• Molecular Weight: 350.3566
• European Community (EC) Number: 264-473-7
• DSSTox Substance ID: DTXSID2069991
• Nikkaji Number: J286.563G
• Wikidata: Q81997137
• Mol file: 63815-69-0.mol

Synonyms:63815-69-0;1H-Benzimidazolium, 1,2-dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt;DTXSID2069991;EINECS 264-473-7;FT-0753428;1,2-Dimethyl-3-(4-sulphonatobutyl)-5-(trifluoromethyl)-1H-benzimidazolium;1,2-Dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)benzimidazolium inner salt;1,2-Dimethyl-3-(4-sulfonatobutyl)-5-(trifluoromethyl)-1H-benzimidazol-3-ium;1H-Benzimidazolium, 1,2-dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, hydroxide, inner salt;1H-Benzimidazolium, 1,2-dimethyl-3-(4-sulfobutyl)-5-trifluoromethyl)-, hydroxide, inner salt

Chemical Property of 1H-Benzimidazolium, 1,2-dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 85.25000
• Density: g/cm³
• LogP: 3.18880
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 350.09119807
• Heavy Atom Count: 23
• Complexity: 493

Purity/Quality:

99% ^*data from raw suppliers

2-METHYL-3-SULFOBUTYL-5-TRIFLUOROMETHYL-BENZIMIDAZOLIUM INNER SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=[N+](C2=C(N1CCCCS(=O)(=O)[O-])C=C(C=C2)C(F)(F)F)C