tert-Butyldiphenylsilyl Trifluoromethanesulfonate - ≥97% , CAS No.92886-86-7

CAS: 92886-86-7 Cat. No.: T161570 Molecular Weight: 388.48 EC Number: 640-683-8 PubChem CID: 10949115

GRADE & PURITY ≥97%

Synonyms

Methanesulfonic acid, trifluoro-, (1,1-dimethylethyl)diphenylsilyl ester | TERT-BUTYLDIPHENYLSILYL TRIFLATE) | AKOS015853177 | MFCD01941212 | AOMOJFWVOHXBTN-UHFFFAOYSA-N | tert-Butyldiphenylsilyl Trifluoromethanesulfonate | BS-18252 | Trifluoromethanesulf

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Methanesulfonic acid, trifluoro-, (1, 1-dimethylethyl)diphenylsilyl ester | TERT-BUTYLDIPHENYLSILYL TRIFLATE) | AKOS015853177 | MFCD01941212 | AOMOJFWVOHXBTN-UHFFFAOYSA-N | tert-Butyldiphenylsilyl Trifluoromethanesulfonate | BS-18252 | Trifluoromethanesulf

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Pubchem Sid: 504765776
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765776
• Canonical Smiles: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F
• IUPAC Name: [tert-butyl(diphenyl)silyl] trifluoromethanesulfonate
• InChIKey: AOMOJFWVOHXBTN-UHFFFAOYSA-N
• INCHI: 1S/C17H19F3O3SSi/c1-16(2,3)25(14-10-6-4-7-11-14,15-12-8-5-9-13-15)23-24(21,22)17(18,19)20/h4-13H,1-3H3
• Isomeric SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F
• PubChem CID: 10949115
• Molecular Weight: 388.48
• Reaxy-Rn: 4331564

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives
        • Level5 Alkanesulfonic acids and derivatives
          • Level6 Alkanesulfonic acids
            • Level7 Trifluoromethanesulfonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Alkanesulfonic acids and derivatives - Alkanesulfonic acids
• Direct Parent: Trifluoromethanesulfonates
• Alternative Parents: Alkylarylsilanes Benzene and substituted derivatives Sulfonyls Methanesulfonates Trihalomethanes Organoheterosilanes Organic metalloid salts Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethanesulfonate - Alkylarylsilane - Monocyclic benzene moiety - Benzenoid - Methanesulfonate - Sulfonyl - Trihalomethane - Organoheterosilane - Organic metalloid salt - Alkyl fluoride - Organosilicon compound - Hydrocarbon derivative - Halomethane - Organosulfur compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Moisture Sensitive,Heat Sensitive
• Flash Point(°C): 179 °C
• Molecular Weight: 388.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 388.078 Da
• Monoisotopic Mass: 388.078 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 519.000
• 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

XLogP3

References

1. Hanxiao Zhou, Tianhui Li, Wenjing Liu, Zhihao Guo, Yuxuan Guo, Jingjing Gao, Meizhen Qu, Huan Zhang, Gongchang Peng.  (2022)  [tert-Butyl(diphenyl)silyl] trifluoromethanesulfonate acts as an effective additive for high-voltage lithium metal batteries.  Materials Chemistry Frontiers,  6  (16): (2274-2283).  [PMID:] [10.1039/D2QM00481J]