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CAS No.: | 355-38-4 |
---|---|
Name: | PERFLUOROHEXANOYL FLUORIDE 98 |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C6F12O |
Molecular Weight: | 316.046 |
Synonyms: | Hexanoylfluoride, undecafluoro- (6CI,7CI,8CI,9CI);Perfluorohexanoyl fluoride; |
EINECS: | 206-582-4 |
Density: | 1.66 g/cm3 |
Boiling Point: | 77.5 °C at 760 mmHg |
Flash Point: | 18 °C |
Hazard Symbols: | C |
PSA: | 17.07000 |
LogP: | 3.58600 |
2,2,3,3,4,4,5,5,6,6,6-Undecafluoro-hexanoic acid 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-1-trifluoromethyl-decyl ester
perfluorohexanoyl fluoride
Conditions | Yield |
---|---|
at 182 - 224℃; | 73% |
7-oxabicyclo(2.2.1)heptane
A
perfluoropentane
B
perfluorohexanoyl fluoride
C
perfluoro(2-ethyltetrahydrofuran)
Conditions | Yield |
---|---|
With fluorine at -120 - 20℃; for 336h; Yields of byproduct given; | A n/a B n/a C 26.2% |
With fluorine at -120 - 20℃; for 336h; Yield given; | A n/a B n/a C 26.2% |
Conditions | Yield |
---|---|
With hydrogen fluoride anodische Fluorierung; |
Conditions | Yield |
---|---|
With hydrogen fluoride anodische Fluorierung; |
Conditions | Yield |
---|---|
With ozone; trifluoroacetic acid at -18 - 0℃; Yield given. Yields of byproduct given; |
Perfluoro-cis-2-n-hexyl-3-n-pentyloxaziridine
A
perfluorohexanoyl fluoride
Conditions | Yield |
---|---|
With cesium fluoride at 100 - 110℃; for 12h; Yield given. Yields of byproduct given; |
Conditions | Yield |
---|---|
With cesium fluoride at 100℃; for 12h; Yield given. Yields of byproduct given; |
(E)-perfluorooct-2-ene
trifluoroacetic acid
A
perfluorohexanoyl fluoride
B
trifluoroacetyl peroxide
Conditions | Yield |
---|---|
With oxygen; ozone at 0℃; Rate constant; var. reaction conditions; also in the presence of SbF5 and HClO4; |
cyclohexanol
A
perfluoropentane
B
perfluorohexanoyl fluoride
C
perfluorocyclohexane
Conditions | Yield |
---|---|
With fluorine -120 deg C to r.t.; Yields of byproduct given; | A 1.2 g B n/a C n/a |
With fluorine -120 deg C to r.t.; Yield given; | A 1.2 g B n/a C n/a |
perfluorohexanoyl fluoride
Conditions | Yield |
---|---|
Ring cleavage; Heating; |
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This chemical is called Hexanoyl fluoride, 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-, and its CAS registry number is 355-38-4. With the molecular formula of C6F12O, its molecular weight is 316.04.
Other characteristics of the Hexanoyl fluoride, 2,2,3,3,4,4,5,5,6,6,6-undecafluoro- can be summarised as followings: (1)ACD/LogP: 6.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.45; (4)ACD/LogD (pH 7.4): 6.45; (5)ACD/BCF (pH 5.5): 47020.47; (6)ACD/BCF (pH 7.4): 47020.47; (7)ACD/KOC (pH 5.5): 76914; (8)ACD/KOC (pH 7.4): 76914; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.264; (14)Molar Refractivity: 31.66 cm3; (15)Molar Volume: 190.3 cm3; (16)Polarizability: 12.55×10-24cm3; (17)Surface Tension: 13.6 dyne/cm; (18)Density: 1.66 g/cm3; (19)Flash Point: 18 °C; (20)Enthalpy of Vaporization: 31.85 kJ/mol; (21)Boiling Point: 77.5 °C at 760 mmHg; (22)Vapour Pressure: 96.4 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(C(F)(F)C(F)=O)C(F)(F)C(F)(F)C(F)(F)F
2.InChI: InChI=1/C6F12O/c7-1(19)2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)18
3.InChIKey: XATLHBQMSOZWBO-UHFFFAOYAK