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Propanoyl fluoride

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Name

Propanoyl fluoride

EINECS 207-067-7
CAS No. 430-71-7 Density 0.943 g/cm3
PSA 17.07000 LogP 0.89250
Solubility N/A Melting Point N/A
Formula C3H5FO Boiling Point 44 °C at 760 mmHg
Molecular Weight 76.0705 Flash Point 3.2 °C
Transport Information UN 2924 Appearance N/A
Safety 16-26-36/37/39 Risk Codes 11-34
Molecular Structure Molecular Structure of 430-71-7 (PROPIONYL FLUORIDE) Hazard Symbols CorrosiveC, FlammableF
Synonyms

Propionylfluoride (6CI,7CI,8CI);

Article Data 37

Propanoyl fluoride Specification

The Propanoyl fluoride, with the CAS registry number of 430-71-7, is also known as Propionyl fluoride. Its EINECS registry number is 207-067-7. This chemical's molecular formula is C3H5FO and molecular weight is 76.07. What's more, its IUPAC name is Propanoyl fluoride.

Physical properties about Propanoyl fluoride are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 2.1; (6)ACD/BCF (pH 7.4): 2.1; (7)ACD/KOC (pH 5.5): 59.16; (8)ACD/KOC (pH 7.4): 59.16; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.323; (14)Molar Refractivity: 16.14 cm3; (15)Molar Volume: 80.6 cm3; (16)Surface Tension: 18 dyne/cm; (17)Density: 0.943 g/cm3; (18)Flash Point: 3.2 °C; (19)Enthalpy of Vaporization: 28.81 kJ/mol; (20)Boiling Point: 44 °C at 760 mmHg; (21)Vapour Pressure: 369 mmHg at 25 °C.

Preparation: this chemical is prepared by Propionyl chloride by heating. This reaction needs reagents Potassium fluoride, Triethylbenzylammonium chloride, 1 % H2O. The yield is about 70 %.

Uses of Propanoyl fluoride: it is used to produce other chemicals. For example, it is used to produce 1-(6-Methyl-[2]naphthyl)-propan-1-one. The reaction needs reagent BF3 and solvent CH2Cl2. The reaction time is 1 hours with reaction temperature of 0-10 °C. The yield is about 70 %.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause burns on contact. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is highly flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(=O)CC
(2) InChI: InChI=1/C3H5FO/c1-2-3(4)5/h2H2,1H3
(3) InChIKey: WMFABESKCHGSRC-UHFFFAOYAJ

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