Difluoroacetato di metile - ≥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 th

CAS: 433-53-4 Cat. No.: M158796 Formula: C₃H₄F₂O₂ Peso molecolare: 110.06 Beilstein Registry Number: 2(3)425 Numero EC: 207-089-7

GRADE & PURITY ≥97%(GC)

Synonyms

Estere metilico dell'acido difluoroacetico

Storage

Temperatura ambiente

Shipped In

Normale

Panoramica

Le reazioni in fase gassosa degli atomi di Cl con il difluoroacetato di metile sono state studiate a 296 ± 2K e alla pressione atmosferica dell'aria sintetica

Specifications

Sinonimi

Estere metilico dell'acido difluoroacetico

Specifiche e purezza

≥97%(GC)

Applicazione

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

Condizioni di conservazione di stoccaggio

Temperatura ambiente

Spedito in

Normale

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

488185659

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

COC(=O)C(F)F

WGK Germania

3

Numero UN

1993

Gruppo di imballaggio

III

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water.
• Indice di rifrazione: 1.334
• Punto di infiammabilità (°F): 73.4 °F
• Punto di infiammabilità (°C): 23 °C
• Punto di ebollizione (°C): 85-86 °C
• Peso molecolare: 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