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Cas Database |
| Name |
Perfluoro(2-methyl-3-pentanone) |
EINECS | 436-710-6 |
| CAS No. | 756-13-8 | Density | 1.66g/cm3 |
| PSA | 17.07000 | LogP | 3.58600 |
| Solubility | 24-332.6mg/L at 25℃ | Melting Point |
-108ºC |
| Formula | C6F12O | Boiling Point | 60°C at 760mmHg |
| Molecular Weight | 316.046 | Flash Point | 9.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
3-Pentanone, 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-; |
Article Data | 21 |
Perfluoro(2-methyl-3-pentanone) Synthetic route
| Conditions | Yield |
|---|---|
| With iron(III) trifluoride; 18-crown-6 ether In acetonitrile at 90℃; for 10h; Autoclave; | 98.2% |
| With activated carbon BAU-A-2 supported 20 wtpercent CsF In neat (no solvent) at 95℃; under 1875.19 Torr; | |
| at 160℃; under 750.075 Torr; for 10h; Gas phase; |
- 788-67-0
1,1,1,3,4,4,5,5,5-nonafluoro-2-trifluoromethyl-2,3-epoxypentane
- 756-13-8
perfluoro-2-methylpentan-3-one
| Conditions | Yield |
|---|---|
| In diethylene glycol at 60℃; for 2h; Temperature; Reagent/catalyst; Autoclave; | 97.8% |
| With triethylamine In acetonitrile at 30℃; for 0.166667h; Temperature; Reagent/catalyst; Solvent; Time; | 97.1% |
| With sodium fluoride In 1,2-dimethoxyethane at 20℃; for 9h; | 94% |
- 116-14-3
polytetrafluoroethylene
- 677-84-9
perfluoroisobutyryl fluoride
- 756-13-8
perfluoro-2-methylpentan-3-one
| Conditions | Yield |
|---|---|
| With iron(III) trifluoride; 18-crown-6 ether In acetonitrile at 90℃; for 10h; Autoclave; | 96.8% |
| at 160℃; under 750.075 Torr; for 10h; Gas phase; |
- 788-50-1, 73041-04-0, 117642-62-3
trans-2,3-epoxyperfluoro-4-methylpentane
- 756-13-8
perfluoro-2-methylpentan-3-one
| Conditions | Yield |
|---|---|
| With cesium fluoride In 1,2-dimethoxyethane at 50℃; for 9h; | 92% |
- 75677-98-4
2,3-bi(fluorosulfato)perfluoro-4-methylpentane
A
- 422-64-0
pentafluoropropionic acid
B
- 756-13-8
perfluoro-2-methylpentan-3-one
| Conditions | Yield |
|---|---|
| With cesium fluoride In N,N-dimethyl-formamide at 20℃; for 4h; | A 76% B 16% |
- 428-59-1
Hexafluoropropene oxide
- 116-15-4
perfluoropropylene
A
- 2062-98-8, 125037-08-3
perfluoro(2-propoxypropionyl) fluoride
B
- 359-72-8
perfluoro-2-methyl-2-pentene
C
- 756-13-8
perfluoro-2-methylpentan-3-one
D
- 287101-12-6
perfluoro-4-methylpent-1-ene
| Conditions | Yield |
|---|---|
| With potassium fluoride In diethylene glycol dimethyl ether | A 9.7% B n/a C 63.5% D 18% |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 93 percent / sodium hypochlorite / H2O; acetonitrile 2: 94 percent / NaF / 1,2-dimethoxy-ethane / 9 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: sodium hypochlorite; urea / acetonitrile; water / 3 h / 20 °C 2: potassium fluoride; 18-crown-6 ether / diethylene glycol dimethyl ether / 3 h / 30 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 70 percent / sodium hypochlorite / H2O; acetonitrile 2: antimony pentafluoride / 2.5 h / 250 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 70 percent / sodium hypochlorite / H2O; acetonitrile 2: 92 percent / CsF / 1,2-dimethoxy-ethane / 9 h / 50 °C View Scheme |
| Conditions | Yield |
|---|---|
| Stage #1: Hexafluoropropene oxide With potassium fluoride In diethylene glycol dimethyl ether for 2h; Heating; Stage #2: perfluoropropylene In diethylene glycol dimethyl ether; acetonitrile at 65 - 80℃; under 5250.53 Torr; for 2h; | |
| at 160℃; under 750.075 Torr; for 10h; Gas phase; |
- 428-59-1
Hexafluoropropene oxide
- 116-15-4
perfluoropropylene
A
- 422-61-7
perfluoropropanoyl fluoride
B
- 756-13-8
perfluoro-2-methylpentan-3-one
| Conditions | Yield |
|---|---|
| With activated carbon BAU-A-2 supported 20 wtpercent CsF In neat (no solvent) at 130℃; Reagent/catalyst; Temperature; |
Perfluoro(2-methyl-3-pentanone) Specification
The cas register number of Perfluoro(2-methyl-3-pentanone) is 756-13-8. It also can be called as 1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)pentan-3-one and the Systematic name about this chemical is 3-Pentanone, 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-.
Physical properties about Perfluoro(2-methyl-3-pentanone) are: (1)ACD/LogP: 8.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.24; (4)ACD/LogD (pH 7.4): 8.24; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 721085; (8)ACD/KOC (pH 7.4): 721085; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07Å2; (13)Index of Refraction: 1.264; (14)Molar Refractivity: 31.66 cm3; (15)Molar Volume: 190.3 cm3; (16)Surface Tension: 13.6 dyne/cm; (17)Density: 1.66 g/cm3; (18)Flash Point: 9.1 °C; (19)Enthalpy of Vaporization: 30.25 kJ/mol; (20)Boiling Point: 60 °C at 760 mmHg; (21)Vapour Pressure: 196 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: FC(F)(F)C(F)(C(=O)C(F)(F)C(F)(F)F)C(F)(F)F
2.InChI: InChI=1/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18
3.InChIKey: RMLFHPWPTXWZNJ-UHFFFAOYAW
4.Std. InChI: InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18
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