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4,5-Difluoro-2-(trimethylsilyl)phenyl trifluoromethanesulfonate - 97%, high purity , CAS No.217813-00-8
Basic Description
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
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 Alkylarylsilanes Fluorobenzenes Aryl fluorides Organosulfonic acid esters Sulfonic acid esters Methanesulfonates Sulfonyls Trihalomethanes Organic metalloid salts Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organooxygen compounds Alkylsilanes
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Trifluoromethanesulfonate - Fluorobenzene - Halobenzene - Alkylarylsilane - Aryl fluoride - Aryl halide - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Trihalomethane - Organic metalloid salt - Hydrocarbon derivative - Alkyl halide - Organosulfur compound - Organooxygen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Alkyl fluoride - Halomethane - Organic oxide - Organic oxygen compound - Alkylsilane - Organosilicon compound - 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
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
IUPAC Name
(4,5-difluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate
INCHI
InChI=1S/C10H11F5O3SSi/c1-20(2,3)9-5-7(12)6(11)4-8(9)18-19(16,17)10(13,14)15/h4-5H,1-3H3
InChIKey
GUGUHTNPVWUWOK-UHFFFAOYSA-N
Smiles
C[Si](C)(C)C1=CC(=C(C=C1OS(=O)(=O)C(F)(F)F)F)F
Isomeric SMILES
C[Si](C)(C)C1=CC(=C(C=C1OS(=O)(=O)C(F)(F)F)F)F
Molecular Weight
334.34
Reaxy-Rn
8272482
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8272482&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
334.340 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
3
Exact Mass
334.012 Da
Monoisotopic Mass
334.012 Da
Topological Polar Surface Area
51.800 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
439.000
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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