Skip to the beginning of the images gallery

diphenyl(trifluoromethyl)sulfanium trifluoromethanesulfonate - 97%, high purity , CAS No.147531-11-1

COA

Grade & Purity:

≥97%

Cas Number: 147531-11-1
Molecular Weight: 404.35
PubChem CID: 18401167
PubChem SID: 504768701

In stock

Item Number

D174313

Grouped product items
SKU	Size	Availability	Price
D174313-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$12.90
D174313-250mg	250mg	3	$49.90
D174313-1g	1g	3	$111.90
D174313-5g	5g	2	$449.90
D174313-10g	10g	2	$809.90

Basic Description

Synonyms	147531-11-1 \| DIPHENYL(TRIFLUOROMETHYL)SULFONIUM TRIFLUOROMETHANESULFONATE \| diphenyl(trifluoromethyl)sulfanium trifluoromethanesulfonate \| diphenyl(trifluoromethyl)sulfanium;trifluoromethanesulfonate \| MFCD12912173 \| Sulfonium, diphenyl(trifluoromethyl)-, 1,1,1-tr
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
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	Benzene and substituted derivatives Sulfonyls Organosulfonic acids Methanesulfonates Trihalomethanes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework	Not available
Substituents	Trifluoromethanesulfonate - Monocyclic benzene moiety - Benzenoid - Methanesulfonate - Organosulfonic acid - Sulfonyl - Trihalomethane - Organic oxide - Alkyl halide - Organosulfur compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Halomethane - Organic cation - Aromatic homomonocyclic 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	504768701
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768701
IUPAC Name	diphenyl(trifluoromethyl)sulfanium;trifluoromethanesulfonate
INCHI	InChI=1S/C13H10F3S.CHF3O3S/c14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10H;(H,5,6,7)/q+1;/p-1
InChIKey	YHEBUXDOUNWVNZ-UHFFFAOYSA-M
Smiles	C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]
Isomeric SMILES	C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]
PubChem CID	18401167
Molecular Weight	404.35

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
C2223338	Certificate of Analysis	Jan 14, 2025	D174313
C2223334	Certificate of Analysis	Jan 14, 2025	D174313
C2223368	Certificate of Analysis	Jan 14, 2025	D174313
C2223302	Certificate of Analysis	Jan 14, 2025	D174313
F2413032	Certificate of Analysis	Mar 05, 2022	D174313

Chemical and Physical Properties

Molecular Weight	404.400 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	403.998 Da
Monoisotopic Mass	403.998 Da
Topological Polar Surface Area	66.600 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	354.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration