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| CAS No.: | 310-71-4 |
|---|---|
| Name: | 2-Chloro-1,1,2-trifluoroethyl ethyl ether |
| Molecular Structure: | |
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| Formula: | C4H6ClF3O |
| Molecular Weight: | 162.539 |
| Synonyms: | Ether,2-chloro-1,1,2-trifluoroethyl ethyl (6CI,7CI,8CI);2-Chloro-1,1,2-trifluoroethyl ethyl ether;Ethoxyflurane;ethane, 2-chloro-1-ethoxy-1,1,2-trifluoro-; |
| Density: | 1.259 g/cm3 |
| Boiling Point: | 85.1 °C at 760 mmHg |
| Flash Point: | 5.3 °C |
| Hazard Symbols: |
 F
|
| Safety: | 23-24/25 |
| PSA: | 9.23000 |
| LogP: | 2.15010 |
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Specification
The 2-Chloro-1,1,2-trifluoroethyl ethyl ether, with the CAS registry number 310-71-4, has the systematic name of 2-chloro-1,1,2-trifluoroethyl ethyl ether. And the molecular formula of the chemical is C4H6ClF3O. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes, and do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).
The characteristics of 2-Chloro-1,1,2-trifluoroethyl ethyl ether are as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 14.93; (6)ACD/BCF (pH 7.4): 14.93; (7)ACD/KOC (pH 5.5): 241.05; (8)ACD/KOC (pH 7.4): 241.05; (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: 1.347; (14)Molar Refractivity: 27.59 cm3; (15)Molar Volume: 129 cm3; (16)Polarizability: 10.93×10-24cm3; (17)Surface Tension: 19.2 dyne/cm; (18)Density: 1.259 g/cm3; (19)Flash Point: 5.3 °C; (20)Enthalpy of Vaporization: 31.2 kJ/mol; (21)Boiling Point: 85.1 °C at 760 mmHg; (22)Vapour Pressure: 78.5 mmHg at 25°C.
Uses of 2-Chloro-1,1,2-trifluoroethyl ethyl ether: It can be used to produce chloro-fluoro-acetyl fluoride and fluoroethane. And the yield is about 45.4%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(F)C(F)(F)OCC
(2)InChI: InChI=1/C4H6ClF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3
(3)InChIKey: WOKICPFFJCXEDW-UHFFFAOYAJ