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

HCID 114277
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
63815-85-0
Standard SMILES
Cc1n(CCCS(=O)(=O)[O-])c2cc(C(F)(F)F)ccc2[n+]1C
InChIKey
TTXYBYYCMISBGU-UHFFFAOYSA-N
Molecular formula
C13H15F3N2O3S
Average molar mass
336.335 g/mol
Monoisotopic mass
336.075548

Names & identifiers

Preferred name
1H-Benzimidazolium, 1,2-dimethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt
IUPAC
3-[1,2-Dimethyl-5-(trifluoromethyl)-1H-benzimidazol-3-ium-3-yl]propane-1-sulfonate
English name
1,2-Dimethyl-3-sulfopropyl-5-trifluoromethylbenzimidazolium, inner salt
Molecular formula
C13H15F3N2O3S
Molecular weight
336.33

Names & synonyms

1,2-Dimethyl-3-sulfopropyl-5-trifluoromethylbenzimidazolium, inner salt1,2-dimethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-1h-benzimidazoliuhydrox

Database identifiers

CAS
63815-85-0
PubChem CID
114277
DTXSID
DTXSID2069997
Nikkaji
J453.219H

Properties

Physicochemical properties

EPA Substance Registry System
1 H-Benzimidazolium, · 1H-Benzimidazolium, 1,2-dimethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt (63815-85-0)
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

Suppliers3 total

Carbone Scientific CO., LTD[email protected]
HWSANDS-OLED[email protected]
3B Scientific Corporation[email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes