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163702-07-6

Basic Information
CAS No.: 163702-07-6
Name: Butane,1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxy-
Article Data: 3
Cas Database
Molecular Structure:
Molecular Structure of 163702-07-6 (Butane,1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxy-)
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;
EINECS: N/A
Density: 1.529 g/mL at 20 °C
Melting Point: -135 °C(lit.)
Boiling Point: 38.7 °C at 760 mmHg
Flash Point: -18℃
Solubility: N/A
Appearance: clear liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 23-24/25
Transport Information: N/A
PSA: 9.23000
LogP: 3.05850
Synthetic route
115-10-6

Dimethyl ether

335-42-2

perfluorobutyryl fluoride

163702-07-6

methyl nonafluorobutyl ether

Conditions
ConditionsYield
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%
116-15-4

perfluoropropylene

360-53-2

1,3,3,3-tetrafluoro-1-methoxy-2-trifluoromethyl-propene

163702-07-6

methyl nonafluorobutyl ether

Conditions
ConditionsYield
With fluorine at -20℃; for 0.333333h; Inert atmosphere;72.5%
67-56-1

methanol

116-15-4

perfluoropropylene

A

382-31-0

2,2,3,4,4,4-hexafluoro-1-butanol

B

374-84-5

4H-octafluoro-2-difluoromethyl-butane

C

76523-97-2

1,1,1,2,3,3-hexafluorobutane

D

163702-07-6

methyl nonafluorobutyl ether

Conditions
ConditionsYield
Product distribution; Further Variations:; Reagents; Irradiation;A 20%
B n/a
C n/a
D n/a
163702-08-7

nonafluoroisobutyl methyl ether

163702-07-6

methyl nonafluorobutyl ether

A

205367-42-6

C5H2ClF9O

B

221617-86-3

C5H2ClF9O

C

C5HCl2F9O

D

C5HCl2F9O

Conditions
ConditionsYield
With chlorine for 4h; Irradiation;
With chlorine; 2,2'-azobis(isobutyronitrile) at 60℃; Heating / reflux;
163702-07-6

methyl nonafluorobutyl ether

A

353-50-4

Carbonyl fluoride

B

C5F10O2

C

perfluoro-butyl formate

Conditions
ConditionsYield
With hydroxyl radical at 24.84℃; Kinetics; Temperature; Irradiation;
Raw Materials
67-56-1
116-15-4
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    163702-07-6

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Specification

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