Ethyl fluoroacetate
ethyl fluoroacetate
CAS: 459-72-3
Molecular Formula: C4H7FO2
Ethyl fluoroacetate - Names and Identifiers
| Name | ethyl fluoroacetate |
| Synonyms | Ethylfluroracetate ETHYL FLUOROACETATE ethyl fluoroacetate 2-fluorobutanoic acid 1-bromo-4-fluorobenzene ETHYL MONOFLUOROACETATE fluoro-aceticaciethylester Fluoracetic acid ethyl ester Aceticacid,fluoro-,ethylester FLUOROACETIC ACID ETHYL ESTER ethylesterkyselinyfluoroctove Ethylester kyseliny fluoroctove 1,2-Alpha-Methylene-6-Dehydro-17Alpha-Acetoxyprogesterone |
| CAS | 459-72-3 |
| EINECS | 207-297-8 |
| InChI | InChI=1/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H |
| InChIKey | VCYZVXRKYPKDQB-UHFFFAOYSA-N |
Ethyl fluoroacetate - Physico-chemical Properties
| Molecular Formula | C4H7FO2 |
| Molar Mass | 106.1 |
| Density | 1.098g/mLat 25°C(lit.) |
| Boling Point | 119.3°C753mm Hg(lit.) |
| Flash Point | 86°F |
| Water Solubility | DECOMPOSES |
| Solubility | water: soluble |
| Vapor Presure | 4.07mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.098 |
| Color | Colorless to pale yellow |
| Merck | 14,4167 |
| BRN | 1743761 |
| Storage Condition | Flammables area |
| Refractive Index | n20/D 1.375(lit.) |
| Physical and Chemical Properties | Character: colorless liquid. relative density 1.0912 refractive index 1.3740 |
| Use | Used as pharmaceutical intermediates for the synthesis of 5-fluorouracil, fluorocytosine |
Ethyl fluoroacetate - Risk and Safety
| Risk Codes | R10 - Flammable R26/27/28 - Very toxic by inhalation, in contact with skin and if swallowed. R50 - Very Toxic to aquatic organisms R28 - Very Toxic if swallowed |
| Safety Description | S13 - Keep away from food, drink and animal foodstuffs. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S28A - S16 - Keep away from sources of ignition. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S22 - Do not breathe dust. S20 - When using, do not eat or drink. |
| UN IDs | UN 2929 6.1/PG 1 |
| WGK Germany | 3 |
| RTECS | AH7175000 |
| FLUKA BRAND F CODES | 21 |
| TSCA | Yes |
| HS Code | 29159080 |
| Hazard Note | Toxic |
| Hazard Class | 6.1(a) |
| Packing Group | II |
Ethyl fluoroacetate - Nature
Open Data Verified Data
colorless liquid. The relative density was 1. 0912. The boiling range was 117-118 °c. Refractive index 3740. Flash point 30 °c. Soluble in water.
Last Update：2024-01-02 23:10:35
Ethyl fluoroacetate - Preparation Method
Open Data Verified Data
acetamide was added into the reactor, heated and stirred at 130~250 ℃ for 30 minutes in an oil bath to remove water, then ethyl chloroacetate and potassium fluoride were added, and the temperature was slowly raised, the reaction product was distilled off through a fractionation column (the temperature of the fractionation column was maintained at 115 to 120 ° C.), and then subjected to fractionation to collect a fraction at 115 to 120 ° C. To obtain the product.
Last Update：2022-01-01 10:33:28
Ethyl fluoroacetate - Use
Open Data Verified Data
The pharmaceutical industry is used for the synthesis of 5 fluorouracil, 5 A fluorine, two kinds of drugs are used for the treatment of malignant tumors.
Last Update：2022-01-01 10:33:27
Ethyl fluoroacetate - Safety
Open Data Verified Data
- toxic. Mouse oral LD50 6~10 mg/kg. Production equipment should be closed, the operator should wear protective equipment.
- tightly sealed in glass bottle. Jacket in stainless steel barrel. Store in a cool, dry and ventilated place. Sunscreen, moisture, away from fire, heat source. According to the provisions of the storage and transportation of toxic chemicals.
Last Update：2022-01-01 10:33:28
Ethyl fluoroacetate - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Use | Used as an intermediate in organic synthesis. It is used in the pharmaceutical industry for the synthesis of 5-fluorouracil and 5-fluidyl alcohol, both of which are used to treat malignant tumors. Ethyl fluoroacetate is used as a pharmaceutical intermediate for the synthesis of 5-fluorouracil and fluorocytosine |
| Production method | It is obtained by the interaction of ethyl chloroacetate and potassium fluoride. Acetamide is first added into the reactor, heated and stirred at 130-250 ℃ in an oil bath for 30 minutes to remove water, then ethyl chloroacetate and potassium fluoride are added as raw materials, and the temperature is slowly increased. Under stirring, the reaction products are evaporated through a fractionation column (the temperature of the fractionation column is maintained at 115-120 ℃), and then the fractionation column is rectified to collect the fraction at 115-120 ℃. |
| category | toxic substances |
| toxicity classification | highly toxic |
| acute toxicity | abdominal cavity-mouse LD50: 19 mg/kg |
| flammability hazard characteristics | open flame is combustible; High heat emits toxic fluoride gas; When exposed to water, moisture decomposes to form corrosive hydrogen fluoride gas |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Moisture proof; Separate storage and transportation from food and oxidant |
| fire extinguishing agent | foam, dry powder, carbon dioxide |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:05
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