2,2-Difluoroethyl Acetate - ≥98%(GC) , CAS No.1550-44-3

CAS: 1550-44-3 Cat. No.: D154397 Molecular Weight: 124.09 EC Number: 801-773-4

GRADE & PURITY ≥98%(GC)

Synonyms

2,2-difluoroethyl acetate | 2,2-Difluoroethylacetate | acetic acid 2,2-difluoro-ethyl ester | Acetatic Acid 2,2-Difluoroethyl Ester | Ethanol, 2,2-difluoro-, 1-acetate | difluoroethylacetate | difluoroethyl acetate | acetic acid 2,2-difluoroethyl ester

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

2, 2-difluoroethyl acetate | 2, 2-Difluoroethylacetate | acetic acid 2, 2-difluoro-ethyl ester | Acetatic Acid 2, 2-Difluoroethyl Ester | Ethanol, 2, 2-difluoro-, 1-acetate | difluoroethylacetate | difluoroethyl acetate | acetic acid 2, 2-difluoroethyl ester

Specifications & Purity

≥98%(GC)

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504757107
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757107
• Canonical Smiles: CC(=O)OCC(F)F
• IUPAC Name: 2,2-difluoroethyl acetate
• InChIKey: PFJLHSIZFYNAHH-UHFFFAOYSA-N
• INCHI: 1S/C4H6F2O2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3
• Isomeric SMILES: CC(=O)OCC(F)F
• Molecular Weight: 124.09
• Reaxy-Rn: 1701853
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1701853&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - 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
• Description: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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

Chemical and Physical Properties

• Refractive Index: 1.35
• Flash Point(°C): -2 °C
• Boil Point(°C): 106°C(lit.)
• Molecular Weight: 124.090 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 124.034 Da
• Monoisotopic Mass: 124.034 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 82.100
• 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

References

1. Shichao Zhang, Siyuan Li, Yuezheng Liu, Jin Tang, Xinyang Wang, Wei Zhong, Shulan Mao, Qian Wu, Chaoqiang Tan, Ziren Long, Hao Cheng, Yong Wu, Yingying Lu.  (2026)  Molecular Engineering of Fluorinated Solvents Enables Practical Lithium Metal Batteries.  Advanced Energy Materials,      [PMID:] [10.1002/aenm.202506771]