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| CAS No.: | 512-51-6 |
|---|---|
| Name: | Ethyl 1,1,2,2-tetrafluoroethyl ether |
| Molecular Structure: | |
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| Formula: | C4H6F4O |
| Molecular Weight: | 146.085 |
| Synonyms: | Ether,ethyl 1,1,2,2-tetrafluoroethyl (6CI,7CI,8CI);1,1,2,2-Tetrafluoroethyl ethylether;1-Ethoxy-1,1,2,2-tetrafluoroethane;374pcEbg;Ethyl 1,1,2,2-tetrafluoroethylether; |
| Density: | 1.198 |
| Boiling Point: | 57.5 °C |
| Flash Point: | 56-58°C |
| Hazard Symbols: |
 F Xi
|
| Risk Codes: | 11 |
| Safety: | 16-23-33 |
| Transport Information: | 3271 |
| PSA: | 9.23000 |
| LogP: | 1.88080 |
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Specification
The Ethyl 1,1,2,2-tetrafluoroethyl ether with cas registry number of 512-51-6, has the systematic name of 1-ethoxy-1,1,2,2-tetrafluoroethane. And its IUPAC name is also 1-ethoxy-1,1,2,2-tetrafluoroethane.
Physical properties about this chemical are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.3; (6)ACD/BCF (pH 7.4): 7.3; (7)ACD/KOC (pH 5.5): 144.45; (8)ACD/KOC (pH 7.4): 144.45; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.298; (14)Molar Refractivity: 22.9 cm3; (15)Molar Volume: 123.1 cm3; (16)Polarizability: 9.08×10-24cm3; (17)Surface Tension: 14.7 dyne/cm; (18)Enthalpy of Vaporization: 27.62 kJ/mol; (19)Vapour Pressure: 381 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Ethyl 1,1,2,2-tetrafluoroethyl ether is highly flammable. So keep it away from sources of ignition.When use it, take precautionary measures against static discharges and do not breathe vapour.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)C(F)(F)OCC;
(2)InChI: InChI=1/C4H6F4O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3;
(3)InChIKey: HBRLMDFVVMYNFH-UHFFFAOYAA;
(4)Std. InChI: InChI=1S/C4H6F4O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3;
(5)Std. InChIKey: HBRLMDFVVMYNFH-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LC | inhalation | > 30000ppm/4H (30000ppm) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0557969, |