N,O-Bis(trimethylsilyl)trifluoroacetamide(BSTFA) - for GC derivatization, ≥98%(GC) , CAS No.25561-30-2

CAS: 25561-30-2 Cat. No.: B118472 Molecular Weight: 257.4 Beilstein Registry Number: 2050024 EC Number: 247-103-9

GRADE & PURITY for GC derivatization, ≥98%(GC)

Synonyms

NSC 379423 | Q1281115 | (3S)-5-fluoro-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxopentanoic acid | N-trimethylsilyl-trifluoroacetylimidic acid trimethylsilyl ester | Trimethylsilyl (1Z)-2,2,2-trifluoro-N-[

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

N,O-Bis(trimethylsilyl)trifluoroacetamide is an organosilicon reagent for trimethylsilylation, deprotection, dehydrogenation, allylic alkylation, nitronate formation, and Claisen rearrangement. BSTFA is a silylating agent used in the synthesis of 4-Quinolones.

Specifications

Synonyms

NSC 379423 | Q1281115 | (3S)-5-fluoro-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxopentanoic acid | N-trimethylsilyl-trifluoroacetylimidic acid trimethylsilyl ester | Trimethylsilyl (1Z)-2, 2, 2-trifluoro-N-[

Specifications & Purity

for GC derivatization, ≥98%(GC)

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

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)N=C(C(F)(F)F)O[Si](C)(C)C
• IUPAC Name: trimethylsilyl 2,2,2-trifluoro-N-trimethylsilylethanimidate
• InChIKey: XCOBLONWWXQEBS-UHFFFAOYSA-N
• INCHI: 1S/C8H18F3NOSi2/c1-14(2,3)12-7(8(9,10)11)13-15(4,5)6/h1-6H3
• Isomeric SMILES: C[Si](C)(C)N=C(C(F)(F)F)O[Si](C)(C)C
• WGK Germany: 3
• Alternate CAS: 152571-61-4
• UN Number: 2924
• Molecular Weight: 257.4
• Beilstein: 2050024
• Reaxy-Rn: 3607620
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3607620&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 Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylheterosilane - N-silyl compound - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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: 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: Miscible with chloroform.
• Sensitivity: Heat & Moisture Sensitive
• Refractive Index: 1.384
• Flash Point(°F): 42.8 °F
• Flash Point(°C): 24 °C
• Boil Point(°C): 142°C
• Melt Point(°C): -41°C(lit.)
• Molecular Weight: 257.399 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 257.088 Da
• Monoisotopic Mass: 257.088 Da
• Topological Polar Surface Area: 21.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 250.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

XLogP3

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