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3,4-Dimethoxybenzenesulfonyl fluoride - 95%, high purity , CAS No.95546-50-2

COA

Grade & Purity:

≥95%

Cas Number: 95546-50-2
Molecular Weight: 220.22
MDL number: MFCD21886431
PubChem CID: 15184248

In stock

Item Number

D467481

Grouped product items
SKU	Size	Availability	Price
D467481-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90
D467481-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$135.90
D467481-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$61.90

Basic Description

Synonyms	F72595 \| 3,4-Dimethoxybenzenesulfonyl fluoride, 95% \| VS-0081 \| 3,4-dimethoxybenzene-1-sulfonylfluoride \| 3,4-dimethoxybenzene-1-sulfonyl fluoride \| EN300-728607 \| AKOS022542768 \| 3,4-DIMETHOXYBENZENESULFONYL FLUORIDE
Specifications & Purity	≥95%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Description Sulfonyl fluoride motif can be used as a connector for the assembly of -SO2- linked small molecules with proteins or nucleic acids. This new click chemistry approach through sulfates is a complimentary approach to using amides and phosphate groups as linkers.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Methoxybenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Benzenesulfonyl compounds Phenoxy compounds Anisoles Alkyl aryl ethers Sulfonyls Sulfonyl fluorides Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-dimethoxybenzene - Dimethoxybenzene - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl fluoride - Sulfonyl halide - Sulfonyl - Ether - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
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	3,4-dimethoxybenzenesulfonyl fluoride
INCHI	InChI=1S/C8H9FO4S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3
InChIKey	LCEVVNNKUAEPJM-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=C1)S(=O)(=O)F)OC
Isomeric SMILES	COC1=C(C=C(C=C1)S(=O)(=O)F)OC
UN Number	3261
Molecular Weight	220.22
Reaxy-Rn	5004116
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5004116&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Melt Point(°C)	59-63℃
Molecular Weight	220.220 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	220.021 Da
Monoisotopic Mass	220.021 Da
Topological Polar Surface Area	61.000 Å²
Heavy Atom Count	14
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	1

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