Ethyl Difluoroacetate - ≥97% , CAS No.454-31-9

CAS: 454-31-9 Cat. No.: E101733 Summenformel: C₄H₆F₂O₂ Molekulargewicht: 124.09 EG-Nummer: 207-223-4

GRADE & PURITY ≥97%

Synonyms

BBL027798 | InChI=1/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3 | EN300-35673 | GZKHDVAKKLTJPO-UHFFFAOYSA- | DTXSID0060010 | EC 207-223-4 | EINECS 207-223-4 | MFCD00013578 | Q-102546 | SCHEMBL238384 | Difluoroacetic Acid Ethyl Ester | Z361436550 | FT-0624918 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

BBL027798 | InChI=1/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3 | EN300-35673 | GZKHDVAKKLTJPO-UHFFFAOYSA- | DTXSID0060010 | EC 207-223-4 | EINECS 207-223-4 | MFCD00013578 | Q-102546 | SCHEMBL238384 | Difluoroacetic Acid Ethyl Ester | Z361436550 | FT-0624918 |

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488181059
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181059
• Kanonisches Lächeln: CCOC(=O)C(F)F
• IUPAC Name: ethyl 2,2-difluoroacetate
• InChIKey: GZKHDVAKKLTJPO-UHFFFAOYSA-N
• INCHI: 1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
• Isomere SMILES: CCOC(=O)C(F)F
• WGK Deutschland: 3
• UN-Nummer: 2924
• Molekulargewicht: 124.09
• Reaxy-Rn: 1748597
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748597&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acid derivatives
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid derivative - 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
• Beschreibung: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon atom.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.347
• Flammpunkt (°F): 73.4 °F
• Flammpunkt (°C): 24 °C
• Siedepunkt (°C): 99.2°C
• Molekulargewicht: 124.090 g/mol
• XLogP3: 0.900
• 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

Referenzen

1. Changxing Han, Yunpeng Qu, Borui Li, Wenkai Song, Hui Lin, Dongming Liu, Mengfan Pei, Shuo Zhuo, Lin Wang, Xin Jin, Wanyuan Jiang, Chang Su, Xusheng Zhang, Xigao Jian, Fangyuan Hu.  (2025)  Tailored Anion-Enriched Solvation Sheath Design Enables Wide Temperature Range Performance of Lithium Metal Batteries†.  CHINESE JOURNAL OF CHEMISTRY,      [PMID:] [10.1002/cjoc.70346]

2. 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]