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2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Trifluoromethanesulfonate - 98%, high purity , CAS No.1961266-44-3

COA

Grade & Purity:

≥98%

Cas Number: 1961266-44-3
Molecular Weight: 438.31
PubChem CID: 132274857
PubChem SID: 488202769

In stock

Item Number

D302677

Grouped product items
SKU	Size	Availability	Price
D302677-1g	1g	3	$45.90
D302677-5g	5g	7	$127.90
D302677-25g	25g	5	$573.90

Discover 2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Trifluoromethanesulfonate by Aladdin Scientific in 98% for only $45.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1961266-44-3 \| 2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Trifluoromethanesulfonate \| 2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Triflate \| MFCD30725753 \| 2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;trifluorometha
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged,Desiccated
Shipped In	Wet ice 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	Benzenoids Aryl fluorides Sulfonyls Organosulfonic acids Methanesulfonates Trihalomethanes Organoheterocyclic compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Not available
Substituents	Trifluoromethanesulfonate - Benzenoid - Aryl halide - Aryl fluoride - Sulfonyl - Organosulfonic acid - Methanesulfonate - Trihalomethane - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic 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	488202769
IUPAC Name	2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
INCHI	InChI=1S/C13H6F5S.CHF3O3S/c14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18;2-1(3,4)8(5,6)7/h1-6H;(H,5,6,7)/q+1;/p-1
InChIKey	WLVWCXRDONBKDB-UHFFFAOYSA-M
Smiles	C1=CC2=C(C=C1F)C3=C([S+]2C(F)(F)F)C=CC(=C3)F.C(F)(F)(F)S(=O)(=O)[O-]
Isomeric SMILES	C1=CC2=C(C=C1F)C3=C([S+]2C(F)(F)F)C=CC(=C3)F.C(F)(F)(F)S(=O)(=O)[O-]
PubChem CID	132274857
Molecular Weight	438.31

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2325881	Certificate of Analysis	May 31, 2023	D302677
F2325917	Certificate of Analysis	May 31, 2023	D302677
F2325885	Certificate of Analysis	May 31, 2023	D302677
F2325875	Certificate of Analysis	May 31, 2023	D302677
F2325865	Certificate of Analysis	May 31, 2023	D302677
F2325895	Certificate of Analysis	May 31, 2023	D302677

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	438.300 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	0
Exact Mass	437.963 Da
Monoisotopic Mass	437.963 Da
Topological Polar Surface Area	66.600 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	463.000
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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