Methyl Difluoroacetate - ≥97%(GC) , CAS No.433-53-4

CAS: 433-53-4 Cat. No.: M158796 Peso molecular: 110.06 Beilstein Registry Number: 2(3)425 Número EC: 207-089-7

GRADE & PURITY ≥97%(GC)

Synonyms

Difluoroacetic Acid Methyl Ester

Storage

Room temperature

Shipped In

Normal

Descripción general

The gas-phase reactions of Cl atoms with methyl difluoroacetate have been investigated at 296 ± 2K and atmospheric pressure of synthetic air.

Specifications

Sinónimos

Difluoroacetic Acid Methyl Ester

Especificaciones y pureza

≥97%(GC)

Aplicación

Methyl difluoroacetate has been used: to compose the electrolyte for Lithium ion cells, also showed good inhibition of aluminum cathode current collector corrosion as electrolyte solvent for improvement of thermal stability in lithium-ion batteries

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488185659
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185659
• Sonrisas canónicas: COC(=O)C(F)F
• IUPAC Name: methyl 2,2-difluoroacetate
• InChIKey: CSSYKHYGURSRAZ-UHFFFAOYSA-N
• INCHI: 1S/C3H4F2O2/c1-7-3(6)2(4)5/h2H,1H3
• Isómeros SMILES: COC(=O)C(F)F
• WGK Alemania: 3
• Número ONU: 1993
• Grupo de embalaje: III
• Peso molecular: 110.06
• Beilstein: 2(3)425
• Reaxy-Rn: 1747534
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747534&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Alpha-halocarboxylic acid derivatives Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl ester - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.
• 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

• Solubilidad: Slightly soluble in water.
• Índice de refracción: 1.334
• Punto de inflamación (°F): 73.4 °F
• Punto de inflamación (°C): 23 °C
• Punto de ebullición (°C): 85-86 °C
• Peso molecular: 110.060 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 110.018 Da
• Monoisotopic Mass: 110.018 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 71.300
• 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