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· · COA & SDS available for every product · Same-day shipping on in-stock items Trimethylsilyl Trifluoroacetate - ≥95%(GC) , CAS No.400-53-3
Synonyms
Acetic acid, 2,2,2-trifluoro-, trimethylsilyl ester | K6JU5FBY95 | Trifluoroacetic Acid, TMS derivative | 2-Hydroxymethylpyridin-3-ol | CF3C(O)OSi(CH3)3 | D92627 | T2629 | Trimethylsilyl trifluoroacetate | Trifluoroacetic acid trimethylsilyl ester | J-640
Storage
Argon charged,Room temperature
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Why this grade ≥95%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview For the ring opening of cyclopropyl ketones; XeF2-mediated trifluoromethylation of aromatic compounds
Specifications Synonyms
Acetic acid, 2, 2, 2-trifluoro-, trimethylsilyl ester | K6JU5FBY95 | Trifluoroacetic Acid, TMS derivative | 2-Hydroxymethylpyridin-3-ol | CF3C(O)OSi(CH3)3 | D92627 | T2629 | Trimethylsilyl trifluoroacetate | Trifluoroacetic acid trimethylsilyl ester | J-640
Specifications & Purity
≥95%(GC)
Storage
Argon charged, Room temperature
Names and Identifiers Pubchem Sid 504754210 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504754210 Canonical Smiles C[Si](C)(C)OC(=O)C(F)(F)F IUPAC Name trimethylsilyl 2,2,2-trifluoroacetate InChIKey VIYXXANHGYSBLY-UHFFFAOYSA-N INCHI 1S/C5H9F3O2Si/c1-11(2,3)10-4(9)5(6,7)8/h1-3H3 Isomeric SMILES C[Si](C)(C)OC(=O)C(F)(F)F WGK Germany 3 PubChem CID 67863 Molecular Weight 186.21 Reaxy-Rn 1773314
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organometallic compounds Class Organometalloid compounds Subclass Organosilicon compounds Intermediate Tree Nodes Not available Direct Parent Trimethylsilyl esters Alternative Parents Trialkylheterosilanes Alpha-halocarboxylic acid derivatives Carboxylic acid salts Organic metalloid salts Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Molecular Framework Aliphatic acyclic compounds Substituents Trimethylsilyl ester - Alpha-halocarboxylic acid derivative - Trialkylheterosilane - Alpha-halocarboxylic acid or derivatives - Carboxylic acid salt - Organoheterosilane - Carboxylic acid derivative - Organic metalloid salt - Monocarboxylic acid or derivatives - Alkyl fluoride - Organofluoride - Organohalogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as trimethylsilyl esters. These are organoheterosilanes, bearing a silicon atom that is linked to three methyl groups and is O-esterified. 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Moisture sensitive Refractive Index 1.336 Flash Point(°F) 55.4 °F Flash Point(°C) 13°C Boil Point(°C) 88-90°C Molecular Weight 186.200 g/mol XLogP3 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 186.032 Da Monoisotopic Mass 186.032 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 158.000 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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