Bistrifluoroacetamide - ≥98%(N) , CAS No.407-24-9

CAS: 407-24-9 Cat. No.: B152205 Fórmula: C₄HF₆NO₂ Peso molecular: 209.05 Beilstein Registry Number: 1793120 Número CE: 206-981-3

GRADE & PURITY ≥98%(N)

Synonyms

BTFA

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

BTFA

Especificações e pureza

≥98%(N)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%(N)

Nomes e identificadores

Pubchem Sid

504754215

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754215

Sorrisos canónicos

C(=O)(C(F)(F)F)NC(=O)C(F)(F)F

IUPAC Name

2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

InChIKey

GMQVFHZSXKJCIV-UHFFFAOYSA-N

INCHI

1S/C4HF6NO2/c5-3(6,7)1(12)11-2(13)4(8,9)10/h(H,11,12,13)

SMILES isoméricas

C(=O)(C(F)(F)F)NC(=O)C(F)(F)F

WGK Alemanha

3

Peso molecular

209.05

Beilstein

1793120

Reaxy-Rn

1793118

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1793118&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Nitrogen mustard compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Nitrogen mustard compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrogen mustard compounds
• Alternative Parents: N-unsubstituted carboxylic acid imides Dicarboximides Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrogen mustard - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organooxygen compound - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.
• 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

Propriedades químicas e físicas

• Sensibilidade: Moisture Sensitive
• Ponto de ebulição (°C): 120°C/1mmHg(lit.)
• Ponto de fusão (°C): 84 °C
• Peso molecular: 209.050 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 208.991 Da
• Monoisotopic Mass: 208.991 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 204.000
• 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

Perguntas frequentes

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 407-24-9, the molecular formula is C4HF6NO2, and the molecular weight is 209.05 g/mol. InChIKey GMQVFHZSXKJCIV-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.