N-Methyltrifluoroacetamide - ≥98%(GC) , CAS No.815-06-5

CAS: 815-06-5 Cat. No.: M123387 Formule: C₃H₄F₃NO Poids moléculaire: 127.07 Beilstein Registry Number: 1703392 Numéro CE: 212-417-7

QUALITÉ & PURETÉ ≥98%(GC)

Synonyms

methyltrifluoroacetamide | Acetamide, 2,2,2-trifluoro-N-methyl- | N-Methyl-2,2,2-trifluoroacetamide | N-Methyltrifluoroacetamide | 2,2,2-trifluoro-N-methyl-acetamide | n-methyl trifluoroacetamide | 2,2,2-Trifluoro-N-methylacetamide

Storage

Room temperature,Argon charged

Shipped In

Normal

Spécifications

Synonymes

methyltrifluoroacetamide | Acetamide, 2,2,2-trifluoro-N-methyl- | N-Methyl-2,2,2-trifluoroacetamide | N-Methyltrifluoroacetamide | 2,2,2-trifluoro-N-methyl-acetamide | n-methyl trifluoroacetamide | 2,2,2-Trifluoro-N-methylacetamide

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504754466

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754466

Sourires canoniques

CNC(=O)C(F)(F)F

IUPAC Name

2,2,2-trifluoro-N-methylacetamide

InChIKey

IQNHBUQSOSYAJU-UHFFFAOYSA-N

INCHI

1S/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8)

Isomères SMILES

CNC(=O)C(F)(F)F

WGK Allemagne

3

Poids moléculaire

127.07

Beilstein

1703392

Reaxy-Rn

1703392

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1703392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Secondary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Secondary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).
• 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

Propriétés chimiques et physiques

• Sensibilité: Hygroscopic
• Point d'éclair (°F): 165.2 °F
• Point d'éclair (°C): 73°C(163°F)
• Point d'ébullition (°C): 160°C
• Point de fusion (°C): 49-52°C
• Poids moléculaire: 127.070 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 127.024 Da
• Monoisotopic Mass: 127.024 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 97.200
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 815-06-5, the molecular formula is C3H4F3NO, and the molecular weight is 127.07 g/mol. InChIKey IQNHBUQSOSYAJU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.