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| CAS No.: | 433-28-3 |
|---|---|
| Name: | Vinyl trifluoroacetate |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C4H3F3O2 |
| Molecular Weight: | 140.062 |
| Synonyms: | Aceticacid, trifluoro-, ethenyl ester (9CI);Acetic acid, trifluoro-, vinyl ester(6CI,7CI,8CI);Vinyl trifluoroacetate;ethenyl trifluoroacetate;ethenyl 2,2,2-trifluoroacetate; |
| EINECS: | 207-088-1 |
| Density: | 1.278 g/cm3 |
| Boiling Point: | 40.4 °C at 760 mmHg |
| Flash Point: | -32 °C |
| Hazard Symbols: |
 F;  C
|
| Risk Codes: | 46-20/21/22-34 |
| Safety: | 53-16-26-27-36/37/39-45 |
| Transport Information: | UN 2924 3 |
| PSA: | 26.30000 |
| LogP: | 1.23540 |
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Specification
The Vinyl trifluoroacetate, with the CAS registry number 433-28-3 and EINECS registry number 207-088-1, has the systematic name of ethenyl trifluoroacetate. It belongs to the following product categories: Monomers; Polymer Science; Vinyl Esters. And the molecular formula of the chemical is C4H3F3O2.
The characteristics of Vinyl trifluoroacetate are as followings: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.37; (6)ACD/BCF (pH 7.4): 30.37; (7)ACD/KOC (pH 5.5): 400.64; (8)ACD/KOC (pH 7.4): 400.64; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.333; (14)Molar Refractivity: 22.53 cm3; (15)Molar Volume: 109.5 cm3; (16)Polarizability: 8.93×10-24cm3; (17)Surface Tension: 18.9 dyne/cm; (18)Density: 1.278 g/cm3; (19)Enthalpy of Vaporization: 28.48 kJ/mol; (20)Boiling Point: 40.4 °C at 760 mmHg; (21)Vapour Pressure: 424 mmHg at 25°C.
Uses of Vinyl trifluoroacetate: It can be used to produce 2-phenyl-cyclopent-2-enone. This reaction will need reagent N-methylmorpholine N-oxide monohydrate, and the menstruum CH2Cl2. The reaction temperature is 20°C, and the yield is about 50%.
You should be cautious while dealing with this chemical. It may cause burns and heritable genetic damage, and it is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Avoid exposure - obtain special instruction before use; Keep away from sources of ignition - No smoking; Wear suitable protective clothing, gloves and eye/face protection; Take off immediately all contaminated clothing; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)C(=O)O\C=C
(2)InChI: InChI=1/C4H3F3O2/c1-2-9-3(8)4(5,6)7/h2H,1H2
(3)InChIKey: ZBGRMWIREQJHPK-UHFFFAOYAW