N-Methyl-N-trimethylsilylheptafluorobutyramide(MSHFBA) - ≥90%(GC) , CAS No.53296-64-3

CAS: 53296-64-3 Cat. No.: N348722 Peso molecular: 299.264 Número EC: 629-632-0

GRADE & PURITY ≥90%(GC)

Synonyms

N-Methyl-N-(trimethylsilyl)heptafluorobutyramide | A829496 | 2,2,3,3,4,4,4-heptafluoro-N-methyl-N-(trimethylsilyl)butanamide | N-Methyl-N-trimethylsilylheptafluorobutyramide | n-methyl-n-trimethylsilyl-heptafluorobutyramide | 2,2,3,3,4,4,4-heptafluoro-N-m

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Silylating agent for use in GC-analyses. It interferes least with flame-ionization detectors.

Specifications

Sinónimos

N-Methyl-N-(trimethylsilyl)heptafluorobutyramide | A829496 | 2, 2, 3, 3, 4, 4, 4-heptafluoro-N-methyl-N-(trimethylsilyl)butanamide | N-Methyl-N-trimethylsilylheptafluorobutyramide | n-methyl-n-trimethylsilyl-heptafluorobutyramide | 2, 2, 3, 3, 4, 4, 4-heptafluoro-N-m

Especificaciones y pureza

≥90%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥90%(GC)

Nombres e identificadores

• Pubchem Sid: 504761913
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761913
• Sonrisas canónicas: CN(C(=O)C(C(C(F)(F)F)(F)F)(F)F)[Si](C)(C)C
• IUPAC Name: 2,2,3,3,4,4,4-heptafluoro-N-methyl-N-trimethylsilylbutanamide
• InChIKey: CMXKINNDZCNCEI-UHFFFAOYSA-N
• INCHI: 1S/C8H12F7NOSi/c1-16(18(2,3)4)5(17)6(9,10)7(11,12)8(13,14)15/h1-4H3
• Isómeros SMILES: CN(C(=O)C(C(C(F)(F)F)(F)F)(F)F)[Si](C)(C)C
• Número ONU: 1993
• Grupo de embalaje: III
• Peso molecular: 299.264
• Reaxy-Rn: 6512894
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6512894&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Alkyl halides
      • Subclass Alkyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Perfluoroalkyl carboxylic acid and derivatives
• Alternative Parents: Trialkylheterosilanes Organic metalloid salts N-silyl compounds Carboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkyl carboxylic acid or derivatives - Trialkylheterosilane - Carboxylic acid derivative - Organic metalloid salt - Organoheterosilane - N-silyl compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic salt - Organosilicon compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as perfluoroalkyl carboxylic acid and derivatives. These are organic compounds containing an alkyl chain attached to the C-alpha of a carboxylic acid group (or a derivative thereof), where all hydrogens of the alkyl chain are replaced by fluorine 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de inflamación (°F): 91.4 °F
• Punto de inflamación (°C): 33 °C
• Punto de ebullición (°C): 148° C
• Peso molecular: 299.260 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 299.058 Da
• Monoisotopic Mass: 299.058 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 333.000
• 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

Referencias

1. Peng Sun, Zhao Yu, Chao Wang, Shuo Li.  (2023)  Determination of sterols in rapeseed by pressurized liquid extraction with gas chromatography–tandem mass spectrometry.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2023.105502]

2. Jingtao Cui, Siqi Zhao, Yanchi Zhou, Tian Li, Weimin Zhang.  (2024)  A comprehensive foodomics analysis of rambutan seed oils: Focusing on the physicochemical parameters, lipid concomitants and lipid profiles.  Food Chemistry-X,      [PMID:39176041] [10.1016/j.fochx.2024.101699]

3. Conghui Lang, Yanpei Huang, Kang Lin, Wenxue Chen, Weijun Chen, Qiuping Zhong, Jianfei Pei, Ying Lv, Rongrong He, Ming Zhang, Haiming Chen.  (2025)  Exploring the optimization of microwave-treated rapeseed oil extraction based on response surface and lipidomics and its effects on quality characteristics, chemical composition, nutritional properties, and antioxidant capacity during storage.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.107787]