1h-benzimidazolium, 1,2-dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt
Basic information
- CAS
63815-69-0- Standard SMILES
Cc1n(CCCCS(=O)(=O)[O-])c2cc(C(F)(F)F)ccc2[n+]1C- InChIKey
HLCIRQVUJGLUEU-UHFFFAOYSA-N- Molecular formula
- C14H17F3N2O3S
- Average molar mass
- 350.36 g/mol
- Monoisotopic mass
- 350.09119807
Names & identifiers
- Preferred name
- 1h-benzimidazolium, 1,2-dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt
- IUPAC
- 4-[2,3-dimethyl-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]butane-1-sulfonate
- English name
- 2-Methyl-3-sulfobutyl-5-trifluoromethyl-benzimidazolium inner salt
- Molecular formula
- C13H15F3N2O3S
- Molecular weight
- 336.33
Names & synonyms
63815-69-01H-Benzimidazolium, 1,2-dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner saltDTXSID2069991EINECS 264-473-71,2-Dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)benzimidazolium inner salt1H-Benzimidazolium, 1,2-dimethyl-3-(4-sulfobutyl)-5-trifluoromethyl)-, hydroxide, inner salt1H-Benzimidazolium, 1,2-dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, hydroxide, inner saltRefChem:79701DTXCID40441192-Methyl-3-sulfobutyl-5-trifluoromethyl-benzimidazolium inner saltHLCIRQVUJGLUEU-UHFFFAOYSA-NNS00035575
Show more names
de,innersalt1,2-dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-1h-benzimidazoliuhydroxi1,2-Dimethyl-3-(4-sulfonatobutyl)-5-(trifluoromethyl)-1H-benzimidazol-3-ium
1,2-Dimethyl-3-(4-sulphonatobutyl)-5-(trifluoromethyl)-1H-benzimidazolium4-[1,2-Dimethyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-3-ium-3-yl]butane-1-sulfonate
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
Physicochemical properties
- EPA Substance Registry System
- 1 H-Benzimidazolium, · 1H-Benzimidazolium, 1,2-dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt (63815-69-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Benzimidazolium, 1,2-dimethyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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