Methyl Difluoroacetate - ≥97%(GC), used for 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 therm

CAS: 433-53-4 Cat. No.: M158796 Fórmula: C₃H₄F₂O₂ Peso molecular: 110.06 Beilstein Registry Number: 2(3)425 Número CE: 207-089-7

GRADE & PURITY ≥97%(GC)

Synonyms

Difluoroacetic Acid Methyl Ester

Storage

Room temperature

Shipped In

Normal

Visão geral

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

Especificações e pureza

≥97%(GC)

Aplicação

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

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

Pubchem Sid

488185659

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185659

Sorrisos canónicos

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

SMILES isoméricas

COC(=O)C(F)F

WGK Alemanha

3

Número UN

1993

Grupo de embalagem

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
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water.
• Índice de refração: 1.334
• Ponto de inflamação (°F): 73.4 °F
• Ponto de inflamação (°C): 23 °C
• Ponto de ebulição (°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