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| CAS No.: | 382-93-4 |
|---|---|
| Name: | METHYL 2,3,3,3-TETRAFLUOROPROPIONATE |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C4H4F4O2 |
| Molecular Weight: | 160.068 |
| Synonyms: | Methyl2,3,3,3-tetrafluoropropanoate;Methyl 2,3,3,3-tetrafluoropropionate;2,3,3,3-Tetrafluoropropionic acid methyl ester;Propionicacid, 2,3,3,3-tetrafluoro-, methyl ester (6CI,8CI); |
| Density: | 1.331 g/cm3 |
| Boiling Point: | 77.3 °C at 760 mmHg |
| Flash Point: | 1.8 °C |
| Hazard Symbols: |
 F
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.30000 |
| LogP: | 1.05980 |
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- Total:17 Page 1 of 1 1
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Specification
The CAS registry number of Propanoic acid,2,3,3,3-tetrafluoro-, methyl ester is 382-93-4. This chemical is also named as Methyl 2,3,3,3-tetrafluoropropionate 97%. In addition, its molecular formula is C4H4F4O2 and molecular weight is 160.07. Its systematic name and IUPAC name are the same which is called methyl 2,3,3,3-tetrafluoropropanoate.
Physical properties about Propanoic acid,2,3,3,3-tetrafluoro-, methyl ester are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.52; (6)ACD/BCF (pH 7.4): 2.52; (7)ACD/KOC (pH 5.5): 67.48; (8)ACD/KOC (pH 7.4): 67.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.306; (13)Molar Refractivity: 22.93 cm3; (14)Molar Volume: 120.2 cm3; (15)Surface Tension: 17.6 dyne/cm; (16)Density: 1.331 g/cm3; (17)Flash Point: 1.8 °C; (18)Enthalpy of Vaporization: 31.83 kJ/mol; (19)Boiling Point: 77.3 °C at 760 mmHg; (20)Vapour Pressure: 97.4 mmHg at 25°C.
Preparation: this chemical can be prepared by (1,1,2,3,3,3-hexafluoro-propyl)-methyl ether at ambient temperature. This reaction will need reagent conc. sulfuric acid. The reaction time is 1 hour. The yield is about 74 %.
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Uses of Propanoic acid,2,3,3,3-tetrafluoro-, methyl ester: it can be used to produce 2-fluoro-3,3,3-trimethoxy-propionic acid methyl ester at temperature of 20 °C. This reaction will need reagent sodium with reaction time of 2 hours. The yield is about 84 %.
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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 is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(F)C(=O)OC
(2)InChI: InChI=1/C4H4F4O2/c1-10-3(9)2(5)4(6,7)8/h2H,1H3
(3)InChIKey: YPGCUXBNTDXTKF-UHFFFAOYAO
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 2750mg/kg (2750mg/kg) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Toxicology and Applied Pharmacology. Vol. 14, Pg. 114, 1969. |
| mouse | LD50 | oral | 10gm/kg (10000mg/kg) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Toxicology and Applied Pharmacology. Vol. 14, Pg. 114, 1969. |