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Fluoromethyl 4-methylbenzenesulfonate - 97%, high purity , CAS No.114435-86-8

COA

Grade & Purity:

≥97%

Cas Number: 114435-86-8
Molecular Weight: 204.22
PubChem CID: 13862289

In stock

Item Number

F586433

Grouped product items
SKU	Size	Availability	Price
F586433-100mg	100mg	3	$23.90
F586433-250mg	250mg	2	$33.90
F586433-1g	1g	2	$119.90

Basic Description

Synonyms	toluene-4-sulfonic acid fluoromethyl ester \| fluoromethyl tosylate \| C71460 \| Fluoromethyl 4-methylbenzenesulfonate \| fluoromethyltosylate \| A904670 \| SCHEMBL29927 \| DS-8182 \| AKOS024260757 \| Fluoromethyl4-methylbenzenesulfonate \| RFCGZPLGJZELOK-UHFFFAOYS
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonate esters
Alternative Parents	p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
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

IUPAC Name	fluoromethyl 4-methylbenzenesulfonate
INCHI	InChI=1S/C8H9FO3S/c1-7-2-4-8(5-3-7)13(10,11)12-6-9/h2-5H,6H2,1H3
InChIKey	RFCGZPLGJZELOK-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)OCF
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)OCF
Molecular Weight	204.22
Reaxy-Rn	9477915
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9477915&ln=

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

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Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
I2314113	Certificate of Analysis	Aug 30, 2023	F586433
I2314115	Certificate of Analysis	Aug 30, 2023	F586433
I2314112	Certificate of Analysis	Aug 30, 2023	F586433

Chemical and Physical Properties

Molecular Weight	204.220 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	204.026 Da
Monoisotopic Mass	204.026 Da
Topological Polar Surface Area	51.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	237.000
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	1

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