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| CAS No.: | 349-43-9 |
|---|---|
| Name: | Ethyl 2-fluoropropionate |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C5H9FO2 |
| Molecular Weight: | 120.124 |
| Synonyms: | Ethyl2-fluoropropionate;Ethyl α-fluoropropionate;NSC 102760; |
| EINECS: | 206-478-9 |
| Density: | 0.997 g/cm3 |
| Melting Point: | -29oC(lit.) |
| Boiling Point: | 125 °C at 760 mmHg |
| Flash Point: | 29.5 °C |
| Appearance: | Light-yellowish liquid |
| Hazard Symbols: |
 F
|
| Risk Codes: | 10 |
| Safety: | 16 |
| Transport Information: | UN 3272 |
| PSA: | 26.30000 |
| LogP: | 0.90750 |
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Specification
The Propanoic acid, 2-fluoro-, ethyl ester, with the CAS registry number of 349-43-9, is also known as 2-Fluoropropanoic acid ethyl ester. It belongs to the product categories of Fluorinated Building Blocks; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Synthetic Organic Chemistry. This chemical's molecular formula is C5H9FO2 and molecular weight is 120.12. What's more, its IUPAC name is Ethyl 2-fluoropropanoate.
Physical properties about Propanoic acid, 2-fluoro-, ethyl ester are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.368; (8)Molar Refractivity: 27.11 cm3; (9)Molar Volume: 120.3 cm3; (10)Polarizability: 10.74×10-24 cm3; (11)Surface Tension: 22.6 dyne/cm; (12)Density: 0.997 g/cm3; (13)Flash Point: 29.5 °C; (14)Enthalpy of Vaporization: 36.29 kJ/mol; (15)Boiling Point: 125 °C at 760 mmHg; (16)Vapour Pressure: 12.4 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is 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(C(=O)OCC)C
(2) InChI: InChI=1/C5H9FO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
(3) InChIKey: ODMITNOQNBVSQG-UHFFFAOYAB