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1-(Fluorosulfonyl)-2,3-dimethyl-1H-imidazol-3-ium trifluoromethanesulfonate - 95%, high purity , CAS No.2179072-33-2

COA

Grade & Purity:

≥95%

Cas Number: 2179072-33-2
Molecular Weight: 328.26
PubChem CID: 134821835
PubChem SID: 504773192

In stock

Item Number

F351007

Grouped product items
SKU	Size	Availability	Price
F351007-1g	1g	3	$122.90
F351007-5g	5g	3	$428.90
F351007-25g	25g	3	$1,499.90

View related series

Fluorosulfonyl group (1) Halogenating reagent (8)

Basic Description

Synonyms	2,3-dimethylimidazol-3-ium-1-sulfonyl fluoride;trifluoromethanesulfonate \| SuFEx-IT
Specifications & Purity	≥95%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic sulfonic acids and derivatives
    - Subclass Organosulfonic acids and derivatives
      - Level5 Alkanesulfonic acids and derivatives
        Level6 Alkanesulfonic acids
        Level7 Trifluoromethanesulfonates

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic sulfonic acids and derivatives
Subclass	Organosulfonic acids and derivatives
Intermediate Tree Nodes	Alkanesulfonic acids and derivatives - Alkanesulfonic acids
Direct Parent	Trifluoromethanesulfonates
Alternative Parents	N-substituted imidazoles Sulfonyls Organosulfonic acids Methanesulfonates Heteroaromatic compounds Trihalomethanes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Not available
Substituents	Trifluoromethanesulfonate - N-substituted imidazole - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Methanesulfonate - Azole - Trihalomethane - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504773192
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504773192
IUPAC Name	2,3-dimethylimidazol-3-ium-1-sulfonyl fluoride;trifluoromethanesulfonate
INCHI	InChI=1S/C5H8FN2O2S.CHF3O3S/c1-5-7(2)3-4-8(5)11(6,9)10;2-1(3,4)8(5,6)7/h3-4H,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey	YAZBWGHMIMMBFC-UHFFFAOYSA-M
Smiles	CC1=[N+](C=CN1S(=O)(=O)F)C.C(F)(F)(F)S(=O)(=O)[O-]
Isomeric SMILES	CC1=[N+](C=CN1S(=O)(=O)F)C.C(F)(F)(F)S(=O)(=O)[O-]
Molecular Weight	328.26
Reaxy-Rn	32439910
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32439910&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
F2404315	Certificate of Analysis	Feb 28, 2024	F351007
F2513077	Certificate of Analysis	Feb 08, 2023	F351007
C2301880	Certificate of Analysis	Feb 08, 2023	F351007
C2301704	Certificate of Analysis	Feb 08, 2023	F351007
C2301713	Certificate of Analysis	Feb 08, 2023	F351007

Chemical and Physical Properties

Sensitivity	Moisture sensitiv
Melt Point(°C)	60-65℃
Molecular Weight	328.300 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	1
Exact Mass	327.981 Da
Monoisotopic Mass	327.981 Da
Topological Polar Surface Area	117.000 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	380.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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