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4， 5-Dimethyl-2-(trimethylsilyl)phenyl trifluoromethanesulfonate - ≥97%, high purity , CAS No.458566-99-9

COA

Grade & Purity:

≥97%

Cas Number: 458566-99-9
Molecular Weight: 326.41
MDL number: MFCD28969391
PubChem CID: 11174787

In stock

Item Number

D770337

Grouped product items
SKU	Size	Availability	Price	Qty
D770337-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$163.90
D770337-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$629.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Protected from light,Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenoxy compounds
Intermediate Tree Nodes	Not available
Direct Parent	Phenoxy compounds
Alternative Parents	o-Xylenes Trifluoromethanesulfonates Alkylarylsilanes Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Trihalomethanes Organic metalloid salts Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkylsilanes Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Trifluoromethanesulfonate - O-xylene - Xylene - Alkylarylsilane - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Trihalomethane - Organic metalloid salt - Alkyl fluoride - Alkylsilane - Organosilicon compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organosulfur compound - Organooxygen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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

IUPAC Name	(4,5-dimethyl-2-trimethylsilylphenyl) trifluoromethanesulfonate
INCHI	InChI=1S/C12H17F3O3SSi/c1-8-6-10(18-19(16,17)12(13,14)15)11(7-9(8)2)20(3,4)5/h6-7H,1-5H3
InChIKey	LWWMREXCZFYEMG-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1C)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
Isomeric SMILES	CC1=CC(=C(C=C1C)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
PubChem CID	11174787
Molecular Weight	326.41

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	326.410 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	326.062 Da
Monoisotopic Mass	326.062 Da
Topological Polar Surface Area	51.800 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	436.000
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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