Description

Trifluoromethyltrimethylsilane (TMS-CF₃), also known as Ruppert’s Reagent, is a highly versatile and reactive organosilicon compound with the molecular formula C₄H₉F₃Si. This colorless to pale yellow liquid is widely recognized for its role as a trifluoromethylating agent in organic synthesis, enabling the introduction of the trifluoromethyl (CF₃) group into various substrates. With a CAS number of 81290-20-2, it is a critical reagent for pharmaceutical, agrochemical, and materials science research due to its ability to enhance the metabolic stability and lipophilicity of target molecules. Available in high purity (≥98% by GC) or as standardized solutions (e.g., 0.5M in THF), it is packaged under inert gas to ensure stability and longevity. Ideal for nucleophilic trifluoromethylation reactions, this compound is a staple in fluoroorganic chemistry laboratories.

Properties

• CAS Number: 81290-20-2
• Complexity: 78.3
• IUPAC Name: trimethyl(trifluoromethyl)silane
• InChI: InChI=1S/C4H9F3Si/c1-8(2,3)4(5,6)7/h1-3H3
• InChI Key: MWKJTNBSKNUMFN-UHFFFAOYSA-N
• Exact Mass: 142.04256131
• Molecular Formula: C4H9F3Si
• Molecular Weight: 142.19
• SMILES: C[Si](C)(C)C(F)(F)F
• Monoisotopic Mass: 142.04256131
• Synonyms: (Trifluoromethyl)trimethylsilane, 81290-20-2, Trimethyl(trifluoromethyl)silane, Trifluoromethyltrimethylsilane, Ruppert’s Reagent, TMS-CF3, Silane, trimethyl(trifluoromethyl)-, TMSCF3, Trifluoro(trimethylsilyl)methane, Trifluoromethyltrimethylsilane [MI], TMSCF(3), CF3SiMe3, A009786QPJ, (trifluoromethyl)-trimethylsilane, DTXSID20338998, DTXCID00290080, 617-210-9, MFCD00145454, UNII-A009786QPJ, trimethyl-trifluoromethyl-silane, Trifluoromethyl(trimethyl)silane, Trimethylsilyl(trifluoromethane), (Trifluoromethyl)trimethylsilane;TMS-CF3, TFMTMS, (Trimethylsilyl)trifluoromethane, Me3SiCF3, Ruppert-Prakash Reagent, CF3TMS, C4H9F3Si, CF3-TMS, trifluoromethyltrimetylsilane, SCHEMBL5253, trifluorotrimethylsilylmethane, trimethyltrifluoromethylsilane, Trimethylsilyltrifluoromethane, trifluoromethytrimethyl silane, trifluoro methyltrimethylsilane, trifluoromethyl trimethylsilane, trifluoromethyl-trimethylsilane, trifluoromethyltrimethyl silane, trifluoromethyltrimethyl-silane, trimethylsilyl trifluoromethane, trimethylsilyl-trifluoromethane, trimethylsilyltrifluoro-methane, (trifluromethyl)trimethylsilane, trifluoromethyl trimethyl silane, trifluoromethyl-trimethyl silane, trimethyl(trifluormethyl)-silane, (trifluoromethyl)trimethyl silane, trifluoromethyl(trimethyl)-silane, trimethyl (trifluoromethyl)silane, trimethyl(trifluoro-methyl)silane, trimethyl(trifluoromethyl) silane, (Trifluoromethyl) trimethylsilane, Trimethyl-(trifluoromethyl)silane, (trifluoromethyl)-trimethyl silane, trimethyl (trifluoromethyl) silane, Trimethyl(trifluoromethyl)silane #, BCP14634, HY-Y0147, FD2097, AKOS000121141, Trimethyl(trifluoromethyl)silane, 99%, AB03965, AS-48932, BP-31162, DB-050532, CS-0008418, T1570, EN300-25971, (Trifluoromethyl)trimethylsilane, 0.5M in THF, (Trifluoromethyl)trimethylsilane, 2M soln. in THF, Q651896, (Trifluoromethyl)Trimethylsilane 0.5M Soln. In Thf, (Trifluoromethyl)trimethylsilane, 0.5M soln. in THF, F0001-2096, Trimethyl(trifluoromethyl)silane, purum, >=98.0% (GC), (Trifluoromethyl)trimethylsilane, 0.5M in tetrahydrofuran, (Trifluoromethyl)Trimethylsilane [Trifluoromethylating Reagent]

Trifluoromethyltrimethylsilane is extensively used as a nucleophilic trifluoromethylating agent in organic synthesis, particularly for converting carbonyl compounds into trifluoromethyl alcohols. It is valuable in pharmaceutical research for introducing CF₃ groups into drug candidates to improve bioavailability and metabolic resistance. The reagent also finds applications in agrochemical development and advanced material design, where fluorinated compounds are essential.

Safety and Hazards

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H315 (18.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (18.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (18.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (100%)
• Skin Irrit. 2 (18.2%)
• Eye Irrit. 2A (18.2%)
• STOT SE 3 (18.2%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.