Cas no 454-31-9 (Ethyl difluoroacetate)
Ethyl difluoroacetate Chemical and Physical Properties
Names and Identifiers
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- 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:
- 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:
- 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:
2915900090Overview:
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 goodsInspection 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 inspectionSummary:
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%
Ethyl difluoroacetate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D2498-5g |
Ethyl difluoroacetate |
454-31-9 | 97.0%(GC) | 5g |
¥135.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D2498-25g |
Ethyl difluoroacetate |
454-31-9 | 97.0%(GC) | 25g |
¥430.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | E001A-100g |
Ethyl difluoroacetate |
454-31-9 | 98% | 100g |
¥186.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | E001A-25g |
Ethyl difluoroacetate |
454-31-9 | 98% | 25g |
¥69.0 | 2022-09-28 | |
| Fluorochem | 003219-5g |
Ethyl difluoroacetate |
454-31-9 | 99% | 5g |
£18.00 | 2022-03-01 | |
| Fluorochem | 003219-25g |
Ethyl difluoroacetate |
454-31-9 | 99% | 25g |
£20.00 | 2022-03-01 | |
| Fluorochem | 003219-100g |
Ethyl difluoroacetate |
454-31-9 | 99% | 100g |
£33.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E101733-100g |
Ethyl difluoroacetate |
454-31-9 | 97% | 100g |
¥107.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E101733-25g |
Ethyl difluoroacetate |
454-31-9 | 97% | 25g |
¥42.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E101733-5g |
Ethyl difluoroacetate |
454-31-9 | 97% | 5g |
¥29.90 | 2023-09-03 |
Ethyl difluoroacetate Suppliers
Ethyl difluoroacetate Related Literature
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Sunil Kumar Singh,Saibaba Vobbalareddy,Srinivasa Rao Kalleda,Shaikh Abdul Rajjak,Seshagiri Rao Casturi,Srinivasa Raju Datla,Rao N. V. S. Mamidi,Ramesh Mullangi,Ravikanth Bhamidipati,Rajagopalan Ramanujam,Venkateswarlu Akella,Koteswar Rao Yeleswarapu Org. Biomol. Chem. 2004 2 2442
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Xin Li,Songtao He,Qiuling Song Chem. Commun. 2021 57 6035
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Rui Xu,Chun Cai Org. Biomol. Chem. 2019 17 8541
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Yingying Shao,Minting Tu,Sen Yang,Yingying Wang,Binlong Sun,Jianjun Shi,Chengxia Tan,Xuedong Wang RSC Adv. 2022 12 23544
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Rui Xu,Chun Cai Chem. Commun. 2019 55 4383
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
- Solvents and Organic Chemicals Organic Compounds Acids/Esters
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.
454-31-9 (Ethyl difluoroacetate) Related Products
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