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CAS No.: | 163702-07-6 |
---|---|
Name: | METHYL NONAFLUOROBUTYL ETHER |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C5H3F9O |
Molecular Weight: | 250.064 |
Synonyms: | (Perfluorobutoxy)methane;1,1,1,2,2,3,3,4,4-Nonafluoro-4-methoxybutane;1-Methoxynonafluorobutane;CF 61;Cosmetic Fluid CF 61;HFC 7100;HFE 449;Methoxyperfluorobutane;Methyl1,1,2,2,3,3,4,4,4-nonafluorobutyl ether;Methyl nonafluorobutyl ether;Methylperfluorobutyl ether;Nonafluorobutyl methyl ether;Perfluorobutyl methylether;n 7100; |
Density: | 1.529 g/mL at 20 °C |
Melting Point: | -135 °C(lit.) |
Boiling Point: | 38.7 °C at 760 mmHg |
Flash Point: | -18℃ |
Appearance: | clear liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 23-24/25 |
PSA: | 9.23000 |
LogP: | 3.05850 |
Conditions | Yield |
---|---|
Stage #1: perfluorobutyryl fluoride With silver fluoride at 20℃; for 24h; Autoclave; Stage #2: Dimethyl ether With water at 20℃; for 36h; Autoclave; | 81.8% |
perfluoropropylene
1,3,3,3-tetrafluoro-1-methoxy-2-trifluoromethyl-propene
methyl nonafluorobutyl ether
Conditions | Yield |
---|---|
With fluorine at -20℃; for 0.333333h; Inert atmosphere; | 72.5% |
methanol
perfluoropropylene
A
2,2,3,4,4,4-hexafluoro-1-butanol
B
4H-octafluoro-2-difluoromethyl-butane
C
1,1,1,2,3,3-hexafluorobutane
D
methyl nonafluorobutyl ether
Conditions | Yield |
---|---|
Product distribution; Further Variations:; Reagents; Irradiation; | A 20% B n/a C n/a D n/a |
nonafluoroisobutyl methyl ether
methyl nonafluorobutyl ether
A
C5H2ClF9O
B
C5H2ClF9O
Conditions | Yield |
---|---|
With chlorine for 4h; Irradiation; | |
With chlorine; 2,2'-azobis(isobutyronitrile) at 60℃; Heating / reflux; |
Conditions | Yield |
---|---|
With hydroxyl radical at 24.84℃; Kinetics; Temperature; Irradiation; |
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The IUPAC name of Methyl nonafluorobutyl ether is 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane. With the CAS registry number 163702-07-6, it is also named as 1H,1H,1H-Nonafluoro-2-oxahexane. The classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.67; (4)ACD/LogD (pH 7.4): 4.67; (5)ACD/BCF (pH 5.5): 2083.38; (6)ACD/BCF (pH 7.4): 2083.38; (7)ACD/KOC (pH 5.5): 8263.62; (8)ACD/KOC (pH 7.4): 8263.62; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.27; (13)Molar Refractivity: 28.29 cm3; (14)Molar Volume: 166.6 cm3; (15)Polarizability: 11.21×10-24 cm3; (16)Surface Tension: 13 dyne/cm; (17)Enthalpy of Vaporization: 27.16 kJ/mol; (18)Vapour Pressure: 463 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 250.004019; (21)MonoIsotopic Mass: 250.004019; (22)Topological Polar Surface Area: 9.2; (23)Heavy Atom Count: 15; (24)Complexity: 229.
When you are using this chemical, please be cautious about it as the following:
The Methyl nonafluorobutyl ether is irritating to eyes, respiratory system and skin, so people should not breathe vapour and avoid contact with skin and eyes.
People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(C(F)(F)C(F)(F)F)C(F)(F)OC
2. InChI:InChI=1/C5H3F9O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3