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| Name |
Butane,1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro- |
EINECS | 425-340-0 |
| CAS No. | 163702-05-4 | Density | 1.441 g/cm3 |
| PSA | 9.23000 | LogP | 3.44860 |
| Solubility | N/A | Melting Point |
- 138 °C(lit.) |
| Formula | C6H5F9O | Boiling Point | 67.8 °C at 760 mmHg |
| Molecular Weight | 264.091 | Flash Point | 39 °F |
| Transport Information | UN 1993 3 | Appearance | N/A |
| Safety | 16-23-45 | Risk Codes | 11-42 |
| Molecular Structure |
|
Hazard Symbols |
 F;  Xn;  Xi
|
| Synonyms |
(Perfluorobutoxy)ethane;1-Ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;1-Ethoxynonafluorobutane;CF 76;Cosmetic Fluid CF 76;Ethyl nonafluorobutyl ether;Ethyl perfluorobutyl ether;HFE 569mccc;HFE 569sf2;HFE 7200;Nonafluorobutyl ethyl ether;Novec HFE 7200;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;butane, 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro-;ethoxynonafluorobutane;Ethyl nonafluorobutyl ether; |
Butane,1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro- Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: 1-(Ethoxy)nonafluorobutane With 9-borabicyclo[3.3.1]nonane dimer In 1,4-dioxane at 20 - 80℃; for 6h; Stage #2: With sodium hydroxide; water In 1,4-dioxane at 20℃; for 0.5h; Stage #3: 3-Iodophenol; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In 1,4-dioxane for 48h; | 78% |
- 423-39-2
1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane
- 37895-73-1
1,2-dibromo-4,5-dimethoxybenzene
- 163702-05-4
1-(Ethoxy)nonafluorobutane
| Conditions | Yield |
|---|---|
| With copper In dimethyl sulfoxide at 135℃; | 65% |
- 163702-05-4
1-(Ethoxy)nonafluorobutane
| Conditions | Yield |
|---|---|
| Stage #1: 1-(Ethoxy)nonafluorobutane With 9-bora-bicyclo[3.3.1]nonane In tetrahydrofuran at 0 - 20℃; for 24h; Stage #2: bis-2-hydroxy-5-bromophenylaldoxime nickel chelate With sodium hydroxide; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran; water for 24.5h; Heating / reflux; | 53% |
- 163702-05-4
1-(Ethoxy)nonafluorobutane
| Conditions | Yield |
|---|---|
| With hydroxide In chloroform at 21.85℃; Rate constant; Kinetics; Irradiation; |
Butane,1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro- Specification
The Butane,1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro-, with the CAS registry number 163702-05-4, has the systematic name of 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane. It belongs to the following product categories: Ethers; Organic Building Blocks; Oxygen Compounds. And the molecular formula of this chemical is C6H5F9O.
The physical properties of Butane,1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro- are as following: (1)ACD/LogP: 5.20; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.287; (8)Molar Refractivity: 32.92 cm3; (9)Molar Volume: 183.1 cm3; (10)Polarizability: 13.05×10-24cm3; (11)Surface Tension: 14.3 dyne/cm; (12)Density: 1.441 g/cm3; (13)Enthalpy of Vaporization: 29.67 kJ/mol; (14)Boiling Point: 67.8 °C at 760 mmHg; (15)Vapour Pressure: 156 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is a kind of highly flammable chemical, and may cause sensitization by inhalation. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)OCC)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3
(3)InChIKey: DFUYAWQUODQGFF-UHFFFAOYAO
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