The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
Dimethyl-2,4-dihydroxyphenylsulfonium triflate - 97%, high purity , CAS No.180787-54-6
Basic Description
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Not available
Direct Parent
Resorcinols
Alternative Parents
Trifluoromethanesulfonates 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Sulfonyls Organosulfonic acids Methanesulfonates Trihalomethanes Organooxygen compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Not available
Substituents
Trifluoromethanesulfonate - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Alkanesulfonic acid - Sulfonyl - Trihalomethane - Hydrocarbon derivative - Halomethane - Alkyl fluoride - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Organic zwitterion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
Pubchem Sid
504769269
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504769269
IUPAC Name
(2,4-dihydroxyphenyl)-dimethylsulfanium;trifluoromethanesulfonate
INCHI
InChI=1S/C8H10O2S.CHF3O3S/c1-11(2)8-4-3-6(9)5-7(8)10;2-1(3,4)8(5,6)7/h3-5H,1-2H3,(H-,9,10);(H,5,6,7)
InChIKey
IQJLWOZFOHQUIQ-UHFFFAOYSA-N
Smiles
C[S+](C)C1=C(C=C(C=C1)O)O.C(F)(F)(F)S(=O)(=O)[O-]
Isomeric SMILES
C[S+](C)C1=C(C=C(C=C1)O)O.C(F)(F)(F)S(=O)(=O)[O-]
Molecular Weight
320.3
Reaxy-Rn
37981727
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37981727&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
129-131° C
Molecular Weight
320.300 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
1
Exact Mass
320 Da
Monoisotopic Mass
320 Da
Topological Polar Surface Area
107.000 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
272.000
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.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
J22181081