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| CAS No.: | 352-23-8 |
|---|---|
| Name: | Ethyl 3,3,3-Trifluoropropionate |
| Molecular Structure: | |
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|
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| Formula: | C5H7F3O2 |
| Molecular Weight: | 156.105 |
| Synonyms: | Ethyl 3,3,3-trifluoropropanoate;Ethyl 3,3,3-trifluoropropionate;Ethyl trifluoromethylacetate;Propionicacid, 3,3,3-trifluoro-, ethyl ester (8CI); |
| Density: | 1.192 g/cm3 |
| Melting Point: | 109 °C |
| Boiling Point: | 100.1 °C at 760 mmHg |
| Flash Point: | 8.5 °C |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 10 |
| Safety: | 16 |
| Transport Information: | UN 3272 |
| PSA: | 26.30000 |
| LogP: | 1.50190 |
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Specification
The CAS registry number of Ethyl 3,3,3-Trifluoropropionate is 352-23-8. This chemical is also named as Ethyl 3,3,3-trifluoropropionate 97%. In addition, its molecular formula is C5H7F3O2 and molecular weight is 156.1. Its systematic name and IUPAC name are the same which is called ethyl 3,3,3-trifluoropropanoate.
Physical properties about Ethyl 3,3,3-Trifluoropropionate are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.57; (6)ACD/BCF (pH 7.4): 4.57; (7)ACD/KOC (pH 5.5): 103.22; (8)ACD/KOC (pH 7.4): 103.22; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.339; (13)Molar Refractivity: 27.44 cm3; (14)Molar Volume: 130.9 cm3; (15)Surface Tension: 20.7 dyne/cm; (16)Density: 1.192 g/cm3; (17)Flash Point: 8.5 °C; (18)Enthalpy of Vaporization: 33.94 kJ/mol; (19)Boiling Point: 100.1 °C at 760 mmHg; (20)Vapour Pressure: 37.2 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air or only need brief contact with an ignition source. It has a very low flash point or evolve highly flammable gases in contact with water. It may cause inflammation to the skin or other mucous membranes. What's more, it is flammable. Finally, you must keep away it from sources of ignition - No smoking.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)CC(=O)OCC
(2)InChI: InChI=1/C5H7F3O2/c1-2-10-4(9)3-5(6,7)8/h2-3H2,1H3
(3)InChIKey: FMDMKDPUFQNVSH-UHFFFAOYA