3-Methoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate - ≥95%(GC) , CAS No.217813-03-1

CAS: 217813-03-1 Cat. No.: M158579 Molecular Weight: 328.38 EC Number: 677-540-4

GRADE & PURITY ≥95%(GC)

Synonyms

3-Methoxy-2-(trimethylsilyl)phenylTrifluoromethanesulfonate | EN300-7412522 | 3-METHOXY-2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE,95.0+%(GC) | M1884 | Methanesulfonic acid, trifluoro-, 3-methoxy-2-(trimethylsilyl)phenyl ester | BS-23122 | MFCD105

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

3-Methoxy-2-(trimethylsilyl)phenylTrifluoromethanesulfonate | EN300-7412522 | 3-METHOXY-2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE, 95.0+%(GC) | M1884 | Methanesulfonic acid, trifluoro-, 3-methoxy-2-(trimethylsilyl)phenyl ester | BS-23122 | MFCD105

Specifications & Purity

≥95%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(GC)

Names and Identifiers

• Canonical Smiles: COC1=C(C(=CC=C1)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C
• IUPAC Name: (3-methoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate
• InChIKey: OJVREKSBMMQLBJ-UHFFFAOYSA-N
• INCHI: 1S/C11H15F3O4SSi/c1-17-8-6-5-7-9(10(8)20(2,3)4)18-19(15,16)11(12,13)14/h5-7H,1-4H3
• Isomeric SMILES: COC1=C(C(=CC=C1)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C
• Molecular Weight: 328.38
• Reaxy-Rn: 8267974
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8267974&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Trifluoromethanesulfonates Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Alkylarylsilanes Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Trihalomethanes Organic metalloid salts Hydrocarbon derivatives Alkylsilanes Organic oxides Alkyl fluorides Organofluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Trifluoromethanesulfonate - Anisole - Methoxybenzene - Alkyl aryl ether - Alkylarylsilane - Monocyclic benzene moiety - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Trihalomethane - Organic metalloid salt - Ether - Organosilicon compound - Alkyl fluoride - Organosulfur compound - Organooxygen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organic oxygen compound - Halomethane - Alkyl halide - Organic oxide - Alkylsilane - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Heat Sensitive
• Refractive Index: 1.47
• Molecular Weight: 328.380 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 328.041 Da
• Monoisotopic Mass: 328.041 Da
• Topological Polar Surface Area: 61.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 424.000
• 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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