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| CAS No.: | 57041-67-5 |
|---|---|
| Name: | DIFLUOROMETHYL 1,2,2,2-TETRAFLUOROETHYL ETHER |
| Molecular Structure: | |
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| Formula: | C3H2F6O |
| Molecular Weight: | 168.039 |
| Synonyms: | 2-(Difluoromethoxy)-1,1,1,2-tetrafluoroethane;Desflurane;Difluoromethyl 1,2,2,2-tetrafluoroethyl ether;HFE 236;HFE236eaEbg;I 653;R-E 236ea1;Suprane; |
| Density: | 1.425g/cm3 |
| Boiling Point: | 12.4 °C at 760 mmHg |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 23 |
| Safety: | 23 |
| PSA: | 9.23000 |
| LogP: | 2.08350 |
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Specification
The Ethane,2-(difluoromethoxy)-1,1,1,2-tetrafluoro-, with CAS registry number 57041-67-5, belongs to the following product category: Refrigerants. It has the systematic name of 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane. The main use of this chemical is for the inhalational anesthetics. And this chemical is toxic by inhalation. When use it, please be caution about it. The chemical formula of this chemical is C3H2F6O.
Physical properties of Ethane,2-(difluoromethoxy)-1,1,1,2-tetrafluoro-: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.56; (6)ACD/BCF (pH 7.4): 15.56; (7)ACD/KOC (pH 5.5): 248.28; (8)ACD/KOC (pH 7.4): 248.28; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.249; (14)Molar Refractivity: 18.55 cm3; (15)Molar Volume: 117.9 cm3; (16)Polarizability: 7.35×10-24cm3; (17)Surface Tension: 11.7 dyne/cm; (18)Density: 1.425 g/cm3; (19)Enthalpy of Vaporization: 24.94 kJ/mol; (20)Boiling Point: 12.4 °C at 760 mmHg; (21)Vapour Pressure: 1180 mmHg at 25°C.
Preparation: this chemical can be prepared by Isoflurane and Bromine trifluoride. The yield is about 62%.
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You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(F)OC(F)F
(2)InChI: InChI=1/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H
(3)InChIKey: DPYMFVXJLLWWEU-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H
(5)Std. InChIKey: DPYMFVXJLLWWEU-UHFFFAOYSA-N