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| CAS No.: | 430-71-7 |
|---|---|
| Name: | PROPIONYL FLUORIDE |
| Article Data: | 37 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H5FO |
| Molecular Weight: | 76.0705 |
| Synonyms: | Propionylfluoride (6CI,7CI,8CI); |
| EINECS: | 207-067-7 |
| Density: | 0.943 g/cm3 |
| Boiling Point: | 44 °C at 760 mmHg |
| Flash Point: | 3.2 °C |
| Hazard Symbols: |
 C,  F
|
| Risk Codes: | 11-34 |
| Safety: | 16-26-36/37/39 |
| Transport Information: | UN 2924 |
| PSA: | 17.07000 |
| LogP: | 0.89250 |
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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 %.
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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 %.
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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