Cas no 454-31-9 (Ethyl difluoroacetate)

Ethyl difluoroacetate (C?H?F?O?) is a fluorinated ester with applications in organic synthesis and pharmaceutical intermediates. Its key advantages include its role as a versatile building block for introducing difluoroacetyl groups into target molecules, enabling the synthesis of fluorinated compounds with enhanced stability and bioactivity. The compound exhibits good reactivity in nucleophilic substitution and condensation reactions, making it valuable for constructing complex fluorinated structures. Its liquid form at room temperature and moderate boiling point facilitate handling in laboratory and industrial settings. Ethyl difluoroacetate is particularly useful in medicinal chemistry for developing fluorinated analogs of bioactive molecules, leveraging the unique properties of fluorine to modulate pharmacokinetics.
Ethyl difluoroacetate structure
Ethyl difluoroacetate structure
Product Name:Ethyl difluoroacetate
CAS No:454-31-9
MF:C4H6F2O2
MW:124.086048603058
MDL:MFCD00013578
CID:37497
PubChem ID:9961
Update Time:2026-02-03

Ethyl difluoroacetate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2,2-difluoroacetate
    • difluoro-aceticaciethylester
    • DIFLUOROACETIC ACID ETHYL ESTER
    • ETHYL DIFLUOROACETATE
    • ETHYL DIFLUOROACETIC ACID
    • ART-CHEM-BB B020251
    • AKOS B020251
    • Ethyl difluoroacetate,98%
    • AKOS000310040
    • F8880-6244
    • Acetic acid, 2,2-difluoro-, ethyl ester
    • Ethyl difluoroacetate, 97%
    • EN300-35673
    • InChI=1/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
    • SCHEMBL238384
    • 2,2-Difluoroacetic acid ethyl ester
    • BBL027798
    • NS00005984
    • ETHYL DIFLUORO ACETATE
    • DB-051300
    • ethyl difluroacetate
    • DTXSID0060010
    • FD2077
    • Ethyl difluoroacetic
    • D2498
    • EINECS 207-223-4
    • MS-20041
    • GZKHDVAKKLTJPO-UHFFFAOYSA-
    • Z361436550
    • difluoro-acetic acid ethyl ester
    • Acetic acid, difluoro-, ethyl ester
    • Q-102546
    • 454-31-9
    • A3R5VZ4KWN
    • STK292392
    • MFCD00013578
    • ethyldifluoroacetate
    • EC 207-223-4
    • CS-W013535
    • Ethyl difluoroacetate
    • MDL: MFCD00013578
    • Inchi: 1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
    • InChI Key: GZKHDVAKKLTJPO-UHFFFAOYSA-N
    • SMILES: CCOC(=O)C(F)F
    • BRN: 1748597

Computed Properties

  • Exact Mass: 124.03400
  • Monoisotopic Mass: 124.03358575g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 82.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Color/Form: Colorless Transparent Liquid
  • Density: 1.18?g/mL?at 25?°C(lit.)
  • Boiling Point: 98°C(lit.)
  • Flash Point: Fahrenheit: 73.4 ° f
    Celsius: 23 ° c
  • Refractive Index: n20/D 1.347(lit.)
  • Water Partition Coefficient: Slightly soluble in water
  • PSA: 26.30000
  • LogP: 0.81460
  • Solubility: Soluble in water, miscible with ethanol, ether and other organic substances

Ethyl difluoroacetate Security Information

  • Symbol: GHS02 GHS05
  • Prompt:dangerous
  • Signal Word:Danger
  • Hazard Statement: H226,H314
  • Warning Statement: P280,P305+P351+P338,P310
  • Hazardous Material transportation number:1992
  • WGK Germany:3
  • Hazard Category Code: 10-34
  • Safety Instruction: S45-S36/37/39-S26-S16-S27
  • Hazardous Material Identification: C
  • Packing Group:III
  • Hazard Level:3
  • Safety Term:3
  • Packing Group:III
  • Risk Phrases:R10; R34
  • HazardClass:3
  • PackingGroup:III
  • TSCA:Yes

Ethyl difluoroacetate Customs Data

  • HS CODE:2942000000
  • Customs Data:

    China Customs Code:

    2915900090

    Overview:

    2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

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Ethyl difluoroacetate Suppliers

Amadis Chemical Company Limited
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(CAS:454-31-9)Ethyl 2,2-difluoroacetate
Order Number:A1205219
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:57
Price ($):155.0
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:454-31-9)二氟乙酸乙酯
Order Number:LE3420123;LE6558
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:43
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
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(CAS:454-31-9)Ethyl difluoroacetate
Order Number:sfd7280
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
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Ethyl difluoroacetate Spectrogram

GC-MS
GC-MS
1H NMR 300 MHz DMSO
1H NMR
13C NMR
13C NMR

Additional information on Ethyl difluoroacetate

Ethyl difluoroacetate (CAS No. 454-31-9): A Versatile Intermediate in Modern Chemical Synthesis and Pharmaceutical Applications

Ethyl difluoroacetate, chemically designated as CH?CF?COOCH?CH?, is a fluorinated ester with the CAS number 454-31-9. This compound has garnered significant attention in the chemical and pharmaceutical industries due to its unique structural properties and broad applicability in synthetic chemistry. As a key intermediate, it plays a pivotal role in the development of various high-value compounds, including agrochemicals, pharmaceuticals, and specialty chemicals.

The< strong>Ethyl difluoroacetate molecule features a difluoroacetyl group linked to an ethyl moiety, which imparts distinct reactivity and stability characteristics. The presence of fluorine atoms enhances the compound's metabolic stability and lipophilicity, making it an attractive building block for drug design. Recent advancements in medicinal chemistry have highlighted its utility in synthesizing novel therapeutic agents targeting various diseases, including cancer, inflammation, and infectious disorders.

In the realm of pharmaceutical research, Ethyl difluoroacetate has been employed in the synthesis of fluorinated analogs of existing drugs. These modifications often lead to improved pharmacokinetic profiles, such as enhanced bioavailability and prolonged half-life. For instance, studies have demonstrated its effectiveness in generating potent inhibitors of enzymes like kinases and proteases, which are critical targets in oncology research. The ability to introduce fluorine atoms at specific positions in drug molecules allows for fine-tuning of their biological activity, making Ethyl difluoroacetate a valuable tool in structure-activity relationship (SAR) studies.

Beyond pharmaceutical applications, Ethyl difluoroacetate finds utility in agrochemical formulations. Its incorporation into herbicides and pesticides enhances their efficacy by improving their resistance to degradation and increasing their affinity for biological targets. The growing demand for sustainable agricultural practices has spurred research into developing environmentally friendly fluorinated compounds, where Ethyl difluoroacetate serves as a key precursor.

The synthesis of Ethyl difluoroacetate typically involves the reaction of fluoroacetic acid with ethanol under acidic conditions. This process is well-established and scalable, ensuring a reliable supply for industrial applications. However, recent innovations in catalytic methods have enabled more efficient and environmentally benign routes to this compound. For example, transition metal-catalyzed cross-coupling reactions have been explored as alternative pathways to introduce fluorine atoms into organic molecules, further expanding the synthetic possibilities of Ethyl difluoroacetate.

In conclusion, Ethyl difluoroacetate (CAS No. 454-31-9) is a multifunctional compound with far-reaching implications in chemical synthesis and pharmaceutical development. Its unique structural features make it an indispensable intermediate for creating advanced materials and life-saving drugs. As research continues to uncover new applications for this versatile compound, its importance in modern chemistry is set to grow even further.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:454-31-9)Ethyl 2,2-difluoroacetate
A1205219
Purity:99%
Quantity:500g
Price ($):155.0
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:454-31-9)二氟乙酸乙酯
LE3420123;LE6558
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
Email