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| CAS No.: | 383-67-5 |
|---|---|
| Name: | ALLYL TRIFLUOROACETATE |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C5H5F3O2 |
| Molecular Weight: | 154.089 |
| Synonyms: | NSC 20943;Aceticacid, trifluoro-, 2-propenyl ester (9CI);Acetic acid, trifluoro-, allyl ester(6CI,7CI,8CI);Allyl trifluoroacetate; |
| EINECS: | 206-853-7 |
| Density: | 1.222 g/cm3 |
| Boiling Point: | 66.5 °C at 760 mmHg |
| Flash Point: | 30 °F |
| Solubility: | Not miscible or difficult to mix with water. |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 F, C
|
| Risk Codes: | 11-34-36/37 |
| Safety: | 16-26-27-36/37/39-45 |
| PSA: | 26.30000 |
| LogP: | 1.27790 |
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Specification
The Acetic acid,2,2,2-trifluoro-, 2-propen-1-yl ester is an organic compound with the formula C5H5F3O2. The IUPAC name of this chemical is prop-2-enyl 2,2,2-trifluoroacetate. With the CAS registry number 383-67-5, it is also named as Acetic acid, trifluoro-, 2-propenyl ester. The product's categories are Monomer; Allyl Monomers; Monomers; Polymer Science. Besides, it is clear colourless liquid.
Physical properties about Acetic acid,2,2,2-trifluoro-, 2-propen-1-yl ester are: (1)ACD/LogP: 1.46; (2)ACD/LogD (pH 5.5): 1.46; (3)ACD/LogD (pH 7.4): 1.46; (4)ACD/BCF (pH 5.5): 7.57; (5)ACD/BCF (pH 7.4): 7.57; (6)ACD/KOC (pH 5.5): 148.28; (7)ACD/KOC (pH 7.4): 148.28; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.35; (12)Molar Refractivity: 27.17 cm3; (13)Molar Volume: 126 cm3; (14)Polarizability: 10.77×10-24cm3; (15)Surface Tension: 20.5 dyne/cm; (16)Density: 1.222 g/cm3; (17)Enthalpy of Vaporization: 30.84 kJ/mol; (18)Boiling Point: 66.5 °C at 760 mmHg; (19)Vapour Pressure: 151 mmHg at 25°C.
Preparation: this chemical can be prepared by prop-2-en-1-ol and trifluoroacetic acid anhydride. This reaction will need reagent 2,6-lutidine. The reaction temperature is 0 °C. The yield is about 73%.
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Uses of Acetic acid,2,2,2-trifluoro-, 2-propen-1-yl ester: it can be used to produce trifluoro-acetic acid 2,4,4-trichloro-4-cyano-butyl ester at temperature of 120 °C. It will need reagent CuCl with reaction time of 20 hours. The yield is about 49%.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable. Please keep away from sources of ignition - No smoking and take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes and respiratory system. It can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(=O)OC\C=C
(2)InChI: InChI=1/C5H5F3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2
(3)InChIKey: XIVPVSIDXBTZLM-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C5H5F3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2
(5)Std. InChIKey: XIVPVSIDXBTZLM-UHFFFAOYSA-N