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Acetyl fluoride

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Name

Acetyl fluoride

EINECS 209-188-0
CAS No. 557-99-3 Density 0.967 g/cm3
PSA 17.07000 LogP 0.50240
Solubility N/A Melting Point -84 °C(lit.)
Formula C2H3FO Boiling Point 20.8 °C at 760 mmHg
Molecular Weight 62.0436 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 557-99-3 (Acetyl fluoride) Hazard Symbols CorrosiveC,FlammableF
Synonyms

Methylcarbonylfluoride;

Article Data 100

Acetyl fluoride Consensus Reports

Reported in EPA TSCA Inventory.

Acetyl fluoride 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

Acetyl fluoride 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.

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%.

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.

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