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 분자식: C₃H₄F₂O₂ 분자량: 110.06 Beilstein Registry Number: 2(3)425 EC 번호: 207-089-7

GRADE & PURITY ≥97%(GC)

Synonyms

Difluoroacetic Acid Methyl Ester

Storage

Room temperature

Shipped In

Normal

개요

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

Specifications

동의어

Difluoroacetic Acid Methyl Ester

사양 및 순도

≥97%(GC)

애플리케이션

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

보관 조건

Room temperature

배송

Normal

순수함

≥97%(GC)

이름과 식별자

Pubchem Sid

488185659

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

COC(=O)C(F)F

WGK 독일

3

UN 번호

1993

포장 그룹

III

분자량

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Slightly soluble in water.
• 굴절률: 1.334
• 발화점(°F): 73.4 °F
• 발화점(°C): 23 °C
• 끓는점(°C): 85-86 °C
• 분자량: 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