N-tert-Butyldimethylsilyl-N-methyltrifluoroacetamide(MTBSTFA) - for GC derivatization , CAS No.77377-52-7

CAS: 77377-52-7 Cat. No.: N131645 Molecular Weight: 241.33 Beilstein Registry Number: 3606546 EC Number: 616-455-9

GRADE & PURITY for GC derivatization

Synonyms

MTBSTFA | Acetamide, N-((1,1-dimethylethyl)dimethylsilyl)-2,2,2-trifluoro-N-methyl- | Acetamide, N-[(1,1-dimethylethyl)dimethylsilyl]-2,2,2-trifluoro-N-methyl- | n-methyl-n-t-butyldimethylsilyltrifluoroacetamide | SY049326 | N-tert-Butyldimethylsilyl-N-me

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Highly efficient silylating agent. Silylating agent reportedly much less moisture-sensitive than other silylating reagents used for GLC derivatization

Specifications

Synonyms

MTBSTFA | Acetamide, N-((1, 1-dimethylethyl)dimethylsilyl)-2, 2, 2-trifluoro-N-methyl- | Acetamide, N-[(1, 1-dimethylethyl)dimethylsilyl]-2, 2, 2-trifluoro-N-methyl- | n-methyl-n-t-butyldimethylsilyltrifluoroacetamide | SY049326 | N-tert-Butyldimethylsilyl-N-me

Specifications & Purity

for GC derivatization

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.

Grade

for GC derivatization

Names and Identifiers

• Canonical Smiles: CC(C)(C)[Si](C)(C)N(C)C(=O)C(F)(F)F
• IUPAC Name: N-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-methylacetamide
• InChIKey: QRKUHYFDBWGLHJ-UHFFFAOYSA-N
• INCHI: 1S/C9H18F3NOSi/c1-8(2,3)15(5,6)13(4)7(14)9(10,11)12/h1-6H3
• Isomeric SMILES: CC(C)(C)[Si](C)(C)N(C)C(=O)C(F)(F)F
• WGK Germany: 3
• Molecular Weight: 241.33
• Beilstein: 3606546
• Reaxy-Rn: 3606546
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3606546&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Organoheterosilanes
          • Level6 Trialkylheterosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Organoheterosilanes
• Direct Parent: Trialkylheterosilanes
• Alternative Parents: Organic metalloid salts N-silyl compounds Carboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylheterosilane - Carboxylic acid derivative - Organic metalloid salt - N-silyl compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Alkyl fluoride - Organic salt - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom.
• External Descriptors: organofluorine compound - monocarboxylic acid amide - N-silyl compound

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 water (reacts).
• Sensitivity: Moisture Sensitive
• Refractive Index: 1.402
• Flash Point(°F): 52℃(125°F)
• Flash Point(°C): 52℃(125°F)
• Boil Point(°C): 168-170°C
• Molecular Weight: 241.330 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 241.111 Da
• Monoisotopic Mass: 241.111 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 255.000
• 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

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2. Wei Ni, Gangtian Zhu, Fei Liu, Can Xie, Wei Li, Shukui Zhu.  (2022)  Rapid profiling of carboxylic acids in reservoir biodegraded crude oils using gas purge microsyringe extraction coupled to comprehensive two-dimensional gas chromatography-mass spectrometry.  FUEL,      [PMID:] [10.1016/j.fuel.2022.123312]

3. Xuejing Li, Yan Hui, Bingfeng Leng, Junli Ren, Yanni Song, Lianqiang Che, Xi Peng, Baojia Huang, Songling Liu, Lin Li, Dennis Sandris Nielsen, Yong Li, Xiaoshuang Dai, Shancen Zhao.  (2021)  Millet-based supplement restored gut microbial diversity of acute malnourished pigs.  PLoS One,  16  (4): (e0250423).  [PMID:33914799] [10.1371/journal.pone.0250423]

4. Gangtian Zhu, Fei Liu, Peiyang Li, Sheng He, Shukui Zhu, Qiang Gao, Yuqi Feng.  (2019)  Profiling free fatty acids in edible oils via magnetic dispersive extraction and comprehensive two-dimensional gas chromatography-mass spectrometry.  FOOD CHEMISTRY,      [PMID:31253278] [10.1016/j.foodchem.2019.124998]

5. Gang-Tian Zhu, Fei Liu, Sheng He, Xiao-Mei He, Shu-Kui Zhu, Yu-Qi Feng.  (2018)  Magnetic extractant with an Fe3O4@SiO2 core and aqueous ammonia coating for microextraction of petroleum acids.  RSC Advances,  8  (35): (19486-19493).  [PMID:35541011] [10.1039/C8RA02262C]

6. Chenyue Zhu, Chuanxiang Yao, Huiting Qin, Wei Zhang, Xinyue Zheng, Siying Zheng, Xinyuan Ye, Ying Xiong, Lili Jiang, Sen Li, Meiqin Wang, Hongliang Jiang, Zhifeng Du.  (2026)  Analysis of deamination impurity of PS-ONs by chemical derivatization of the enzymatic digest and LC-MS/MS.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:41619453] [10.1016/j.chroma.2026.466753]