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2-Methyl-6-(trimethylsilyl)phenyl Trifluoromethanesulfonate - >96.0%(GC), high purity , CAS No.556812-44-3

COA

Grade & Purity:

≥96%(GC)

Cas Number: 556812-44-3
Molecular Weight: 312.38
PubChem CID: 12182646
PubChem SID: 488197913

In stock

Item Number

M158553

Grouped product items
SKU	Size	Availability	Price
M158553-250mg	250mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$58.90
M158553-1g	1g	3	$179.90
M158553-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$684.90

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Element classified compounds (2014) Silicon compound (537)

Basic Description

Synonyms	DTXSID30479467 \| T72615 \| Trifluoromethanesulfonic Acid 2-Methyl-6-(trimethylsilyl)phenyl Ester \| 2-Methyl-6-(trimethylsilyl)phenyl Trifluoromethanesulfonate \| 2-Methyl-6-(trimethylsilyl)phenyl Triflate \| MFCD10566915 \| 2-Methyl-6-(trimethylsilyl)phenylTr
Specifications & Purity	≥96%(GC)
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	Trifluoromethanesulfonates Toluenes 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 - Alkylarylsilane - Toluene - 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

Pubchem Sid	488197913
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488197913
IUPAC Name	(2-methyl-6-trimethylsilylphenyl) trifluoromethanesulfonate
INCHI	InChI=1S/C11H15F3O3SSi/c1-8-6-5-7-9(19(2,3)4)10(8)17-18(15,16)11(12,13)14/h5-7H,1-4H3
InChIKey	ZCWWZFXNICWDIB-UHFFFAOYSA-N
Smiles	CC1=C(C(=CC=C1)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
Isomeric SMILES	CC1=C(C(=CC=C1)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
Molecular Weight	312.38
Reaxy-Rn	9403521
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9403521&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
K2016128	Certificate of Analysis	Sep 16, 2022	M158553
K2016127	Certificate of Analysis	Sep 16, 2022	M158553
K2016126	Certificate of Analysis	Sep 16, 2022	M158553

Chemical and Physical Properties

Sensitivity	Air Sensitive
Refractive Index	1.47
Molecular Weight	312.380 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	312.046 Da
Monoisotopic Mass	312.046 Da
Topological Polar Surface Area	51.800 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	408.000
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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