(Trifluoromethyl)trimethylsilane（TFMTMS） - ≥98% , CAS No.81290-20-2

CAS: 81290-20-2 Cat. No.: T299032 Molecular Weight: 142.19 Beilstein Registry Number: 4241868 EC Number: 617-210-9

GRADE & PURITY ≥98%

Synonyms

(Trifluoromethyl)Trimethylsilane [Trifluoromethylating Reagent] | trifluoromethyl trimethylsilane | FD2097 | FT-0605358 | trifluoromethyl trimethyl silane | Me3SiCF3 | trifluoromethyltrimethyl silane | trifluoromethyl-trimethyl silane | trifluoromethytrim

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Trifluoromethylation reagents add trifluoromethyl groups to aldehydes and ketones. 

Applications

Trimethyl(trifluoromethyl)silane can be used as a trifluoromethylation agent in the following processes: converting N-(tert-butylsulfinyl)imines to trifluoromethylamines; converting trans-alkenones to trans-α-trifluoromethylsilyl ethers; trifluoromethylation of azomethimines; converting H-phosphonates to CF3-phosphonates; and the nucleophilic addition of trifluoromethyl to aldehydes and ketones.

Specifications

Synonyms

(Trifluoromethyl)Trimethylsilane [Trifluoromethylating Reagent] | trifluoromethyl trimethylsilane | FD2097 | FT-0605358 | trifluoromethyl trimethyl silane | Me3SiCF3 | trifluoromethyltrimethyl silane | trifluoromethyl-trimethyl silane | trifluoromethytrim

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)C(F)(F)F
• IUPAC Name: trimethyl(trifluoromethyl)silane
• InChIKey: MWKJTNBSKNUMFN-UHFFFAOYSA-N
• INCHI: 1S/C4H9F3Si/c1-8(2,3)4(5,6)7/h1-3H3
• Isomeric SMILES: C[Si](C)(C)C(F)(F)F
• WGK Germany: 3
• UN Number: 1993
• Molecular Weight: 142.19
• Beilstein: 4241868
• Reaxy-Rn: 4241868

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Halomethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trihalomethanes
• Alternative Parents: Organic metalloid salts Organofluorides Hydrocarbon derivatives Alkylsilanes Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trihalomethane - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organosilicon compound - Alkylsilane - Organofluoride - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
• 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

• Solubility: Soluble in alcohol, THF, ether, dichloromethane, aromatic and aliphatic hydrocarbons. Soluble in water(with white smokes).
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.33
• Flash Point(°F): 1.4 °F
• Flash Point(°C): -17℃
• Boil Point(°C): 54-55 °C
• Molecular Weight: 142.190 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 142.043 Da
• Monoisotopic Mass: 142.043 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.300
• 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. Hui Han, Ying-Ying Wang, Xing-Chao Yu, Yan-Na Ma, Xuenian Chen.  (2022)  A Simple and Efficient Way to Directly Synthesize Unsolvated Alkali Metal (M = Na, K) Salts of [CB11H12]−.  Crystals,  12  (10): (1339).  [PMID:] [10.3390/cryst12101339]

2. Ma Baochen, Zhang Haikuo, Li Ruhong, Zhang Shuoqing, Chen Long, Zhou Tao, Wang Jinze, Zhang Ruixin, Ding Shouhong, Xiao Xuezhang, Deng Tao, Chen Lixin, Fan Xiulin.  (2024)  Molecular-docking electrolytes enable high-voltage lithium battery chemistries.  Nature Chemistry,      [PMID:39009795] [10.1038/s41557-024-01585-y]

3. Chun Li, Jiaxun Yao, Jiayi Xu, Huanhuan Yang, Guangfu Luo, Yanhao Yu.  (2025)  Burst Nucleation in Area-Selective Atomic Layer Deposition.  ACS Applied Materials & Interfaces,      [PMID:40663797] [10.1021/acsami.5c07184]

4. Li Ruhong, Zhang Haikuo, Zhang Shuoqing, Li Yong, Guo Rui, Pei Haijuan, Yang Ming, Zhang Junbo, Chen Long, Xiao Xuezhang, Chen Lixin, Shen Yanbin, Deng Tao, Fan Xiulin.  (2025)  Unified affinity paradigm for the rational design of high-efficiency lithium metal electrolytes.  Nature Energy,      [PMID:] [10.1038/s41560-025-01842-5]