4,5-Dimethoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate - ≥98% , CAS No.866252-52-0

CAS: 866252-52-0 Cat. No.: D154994 Molecular Weight: 358.41 EC Number: 679-878-8

GRADE & PURITY ≥98%

Synonyms

SY054551 | D3883 | 4,5-Dimethoxy-2-(trimethylsilyl)phenyl Triflate | 4,5-Dimethoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate | DTXSID90583079 | AKOS015852939 | Trifluoromethanesulfonic Acid 4,5-Dimethoxy-2-(trimethylsilyl)phenyl Ester | BS-44042

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

SY054551 | D3883 | 4, 5-Dimethoxy-2-(trimethylsilyl)phenyl Triflate | 4, 5-Dimethoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate | DTXSID90583079 | AKOS015852939 | Trifluoromethanesulfonic Acid 4, 5-Dimethoxy-2-(trimethylsilyl)phenyl Ester | BS-44042

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488199043
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199043
• Canonical Smiles: COC1=CC(=C(C=C1OC)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
• IUPAC Name: (4,5-dimethoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate
• InChIKey: DLUVZOFWZNLGTJ-UHFFFAOYSA-N
• INCHI: 1S/C12H17F3O5SSi/c1-18-8-6-10(20-21(16,17)12(13,14)15)11(22(3,4)5)7-9(8)19-2/h6-7H,1-5H3
• Isomeric SMILES: COC1=CC(=C(C=C1OC)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
• Molecular Weight: 358.41
• Reaxy-Rn: 9714642
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9714642&ln=

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: Trifluoromethanesulfonates Anisoles Phenoxy compounds Alkyl aryl ethers Alkylarylsilanes Sulfonic acid esters Organosulfonic acid esters Methanesulfonates Sulfonyls Trihalomethanes Organic metalloid salts Organic oxides Hydrocarbon derivatives Alkylsilanes Organofluorides Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Trifluoromethanesulfonate - Anisole - Phenol ether - Alkyl aryl ether - Alkylarylsilane - 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 - Halomethane - Organosulfur compound - Organooxygen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organic oxygen compound - Alkyl halide - Organic oxide - Alkylsilane - Hydrocarbon derivative - 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

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: 358.410 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 358.052 Da
• Monoisotopic Mass: 358.052 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 469.000
• 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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