N-(Trimethylsilyl)bis(trifluoromethanesulfonyl)imide - ≥97%(T) , CAS No.82113-66-4

CAS: 82113-66-4 Cat. No.: N159640 Molecular Weight: 353.33 EC Number: 672-648-8

GRADE & PURITY ≥97%(T)

Synonyms

N-(Trimethylsilyl)bis(trifluoromethanesulfonyl)amine | 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)-N-trimethylsilylmethanesulfonamide | T72970 | AS-69066 | Tf2NSiMe3 | N-(Trimethylsilyl)bis(trifluoromethanesulfonyl)imide, >/=97% | AKOS037646475 | C5H9F6NO

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

N-(Trimethylsilyl)bis(trifluoromethanesulfonyl)amine | 1, 1, 1-trifluoro-N-(trifluoromethylsulfonyl)-N-trimethylsilylmethanesulfonamide | T72970 | AS-69066 | Tf2NSiMe3 | N-(Trimethylsilyl)bis(trifluoromethanesulfonyl)imide, >/=97% | AKOS037646475 | C5H9F6NO

Specifications & Purity

≥97%(T)

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

≥97%(T)

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
• IUPAC Name: 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)-N-trimethylsilylmethanesulfonamide
• InChIKey: MLIRNWUYOYIGBZ-UHFFFAOYSA-N
• INCHI: 1S/C5H9F6NO4S2Si/c1-19(2,3)12(17(13,14)4(6,7)8)18(15,16)5(9,10)11/h1-3H3
• Isomeric SMILES: C[Si](C)(C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
• Molecular Weight: 353.33
• Reaxy-Rn: 6428235
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6428235&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids and derivatives
• Alternative Parents: Trialkylheterosilanes Aminosulfonyl compounds Trihalomethanes Organic metalloid salts N-silyl compounds Organofluorides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid or derivatives - Sulfonyl - Trialkylheterosilane - Aminosulfonyl compound - Trihalomethane - N-silyl compound - Organoheterosilane - Organic metalloid salt - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organosilicon compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Alkyl halide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids and derivatives. These are compounds containing a sulfonic acid or derivative, with the general structure RS(=O)2X (R=alkyl, aryl; X=any heteroatom).
• 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: Moisture Sensitive,Heat Sensitive
• Boil Point(°C): 115 °C/2 mmHg
• Molecular Weight: 353.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 352.965 Da
• Monoisotopic Mass: 352.965 Da
• Topological Polar Surface Area: 88.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 487.000
• 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. Qun Jia, Zhi-Chao Yan, Yanan Li, Junfeng Liu, Yuansheng Ding, Yujian Liu, Jian Li, Yougen Chen.  (2021)  Synthesis of well-defined di- and triblock acrylic copolymers consisting of hard poly(dicyclopentanyl acrylate) and soft poly(alkyl acrylate) segments by organocatalyzed group transfer polymerization and their glass transition behavior.  Polymer Chemistry,  12  (23): (3427-3440).  [PMID:] [10.1039/D1PY00192B]