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756-13-8

Basic Information
CAS No.: 756-13-8
Name: Perfluoro(2-methyl-3-pentanone)
Article Data: 21
Molecular Structure:
Molecular Structure of 756-13-8 (Perfluoro(2-methyl-3-pentanone))
Formula: C6F12O
Molecular Weight: 316.046
Synonyms: 3-Pentanone, 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-;
EINECS: 436-710-6
Density: 1.66g/cm3
Melting Point: -108ºC
Boiling Point: 60°C at 760mmHg
Flash Point: 9.1°C
Solubility: 24-332.6mg/L at 25℃
Hazard Symbols: IrritantXi
PSA: 17.07000
LogP: 3.58600
Synthetic route
116-15-4

perfluoropropylene

422-61-7

perfluoropropanoyl fluoride

756-13-8

perfluoro-2-methylpentan-3-one

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With potassium fluoride In diethylene glycol dimethyl etherA 9.7%
B n/a
C 63.5%
D 18%
1584-03-8

perfluoro-2-methylpent-2-ene

756-13-8

perfluoro-2-methylpentan-3-one

Conditions
ConditionsYield
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
3709-71-5

trans-perfluoro-(4-methyl-2-pentene)

756-13-8

perfluoro-2-methylpentan-3-one

Conditions
ConditionsYield
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
428-59-1

Hexafluoropropene oxide

116-15-4

perfluoropropylene

756-13-8

perfluoro-2-methylpentan-3-one

Conditions
ConditionsYield
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
ConditionsYield
With activated carbon BAU-A-2 supported 20 wtpercent CsF In neat (no solvent) at 130℃; Reagent/catalyst; Temperature;
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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