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| CAS No.: | 756-09-2 |
|---|---|
| Name: | 3H-Tetrafluoropropionic acid |
| Article Data: | 13 |
| Molecular Structure: | |
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|
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| Formula: | C3H2F4O2 |
| Molecular Weight: | 146.041 |
| Synonyms: | Propionicacid, 2,2,3,3-tetrafluoro- (6CI,7CI,8CI);2,2,3,3-Tetrafluoropropanoic acid;2,2,3,3-Tetrafluoropropionic acid;Flupropanate;w-Hydroperfluoropropionic acid;w-Hydrotetrafluoropropionic acid; |
| EINECS: | 212-049-7 |
| Density: | 1.538 g/cm3 |
| Boiling Point: | 140.7 °C at 760 mmHg |
| Flash Point: | 38.9 °C |
| Solubility: | Sparingly soluble in water. |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 37.30000 |
| LogP: | 0.97140 |
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Specification
The 3H-Tetrafluoropropionic acid, with CAS registry number 756-09-2, has the systematic name of 2,2,3,3-tetrafluoropropanoic acid. Beisdes this, it is also called Acide 2,2,3,3-tétrafluoropropanoïque. What's more, its EINECS is 212-049-7. This chemical should be stored in cool, dry place at the temperature of 0-6°C.
Physical properties of 3H-Tetrafluoropropionic acid: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.2; (4)ACD/LogD (pH 7.4): -2.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.306; (14)Molar Refractivity: 18.09 cm3; (15)Molar Volume: 94.8 cm3; (16)Polarizability: 7.17×10-24cm3; (17)Surface Tension: 21.2 dyne/cm; (18)Enthalpy of Vaporization: 41.7 kJ/mol; (19)Vapour Pressure: 3.47 mmHg at 25°C.
Uses of 3H-Tetrafluoropropionic acid: it can be used to produce 2,2,3,3-tetrafluoro-propionyl chloride. This reaction will need reagent C6H5-CCl3. The temperature of this chemical is 50 - 75 ℃. The yield is about 87%.
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When you are using this chemical, please be cautious about it as the following:
The 3H-Tetrafluoropropionic acid may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)C(F)(F)C(=O)O
(2)InChI: InChI=1/C3H2F4O2/c4-1(5)3(6,7)2(8)9/h1H,(H,8,9)
(3)InChIKey: PXRROZVNOOEPPZ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C3H2F4O2/c4-1(5)3(6,7)2(8)9/h1H,(H,8,9)
(5)Std. InChIKey: PXRROZVNOOEPPZ-UHFFFAOYSA-N