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| CAS No.: | 557-99-3 |
|---|---|
| Name: | Acetyl fluoride |
| Article Data: | 100 |
| Molecular Structure: | |
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|
|
| Formula: | C2H3FO |
| Molecular Weight: | 62.0436 |
| Synonyms: | Methylcarbonylfluoride; |
| EINECS: | 209-188-0 |
| Density: | 0.967 g/cm3 |
| Melting Point: | -84 °C(lit.) |
| Boiling Point: | 20.8 °C at 760 mmHg |
| Hazard Symbols: |
 C, F
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 17.07000 |
| LogP: | 0.50240 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Standards and Recommendations
OSHA PEL: TWA 2.5 mg(F)/m3
ACGIH TLV: TWA 2.5 mg(F)/m3; BEI: 3 mg/g creatinine of fluorides in urine prior to shift; 10 mg/g creatinine of fluorides in urine at end of shift.
NIOSH REL: (Fluorides, Inorganic) TWA 2.5 mg(F)/m3
Specification
The Acetyl fluoride, with the CAS registry number 557-99-3, is also known as Methylcarbonyl fluoride. Its EINECS registry number is 209-188-0. This chemical's molecular formula is C2H3FO and molecular weight is 62.043023. Its IUPAC name is called acetyl fluoride.
Physical properties of Acetyl fluoride: (1)ACD/LogP: 0.20; (2)ACD/LogD (pH 5.5): 0.19; (3)ACD/LogD (pH 7.4): 0.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.41; (7)ACD/KOC (pH 7.4): 30.41; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.286; (10)Molar Refractivity: 11.5 cm3; (11)Molar Volume: 64.1 cm3; (12)Surface Tension: 15 dyne/cm; (13)Density: 0.967 g/cm3; (14)Enthalpy of Vaporization: 26.75 kJ/mol; (15)Boiling Point: 20.8 °C at 760 mmHg; (16)Vapour Pressure: 889 mmHg at 25°C.
Preparation: this chemical can be prepared by acetic acid anhydride. This reaction will need reagent KF.
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Uses of Acetyl fluoride: it can be used to produce acetic acid-(2-methyl-cyclohex-1-enyl ester) at temperature of -10 °C. This reaction will need catalyst PhCH2NMe3(1+)*F(1-) with reaction time of 22 hours. The yield is about 71%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)F
(2)InChI: InChI=1S/C2H3FO/c1-2(3)4/h1H3
(3)InChIKey: JUCMRTZQCZRJDC-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LCLo | inhalation | 2000mg/m3/30M (2000mg/m3) | "Fluorine Chemistry, Volume III. Biological Effects of Organic Fluorides," Simons, J.H., ed., New York, Academic Press, Inc., 1963Vol. 3, Pg. 74, 1963. | |
| mouse | LC50 | inhalation | 2500mg/m3 (2500mg/m3) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 325, 1986. |