CAS No.678-18-2,1H,1H,1H-Nonafluoro-2-hexanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	678-18-2
Name:	1H,1H,1H-Nonafluoro-2-hexanone

Formula:	C₆H₃F₉O
Molecular Weight:	262.07
Synonyms:	PerfluoroHexanone;1,1,1,2,2,3,3,4,4-Nonafluoro-5-hexanone;Methyl nonafluorobutyl ketone;Methyl perfluoro-n-butyl ketone;3,3,4,4,5,5,6,6,6-Nonafluoro-2-hexanone;
Density:	1.506 g/cm³
Boiling Point:	82.9 °C at 760 mmHg
Flash Point:	20.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	17.07000
LogP:	3.04360

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- China (Mainland)(17)
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Specification

The CAS register number of 1H,1H,1H-Nonafluoro-2-hexanone is 678-18-2. It also can be called as 1,1,1,2,2,3,3,4,4-Nonafluoro-5-hexanone and the systematic name about this chemical is 3,3,4,4,5,5,6,6,6-nonafluorohexan-2-one. The molecular formula about this chemical is C₆H₃F₉O and the molecular weight is 262.07. It belongs to the following product categories which include Fluorous Chemistry; Fluorous Compounds; Synthetic Organic Chemistry and so on.

Physical properties about 1H,1H,1H-Nonafluoro-2-hexanone are: (1)ACD/LogP: 4.83; (2)ACD/LogD (pH 5.5): 4.83; (3)ACD/LogD (pH 7.4): 4.83; (4)ACD/BCF (pH 5.5): 2779.11; (5)ACD/BCF (pH 7.4): 2779.11; (6)ACD/KOC (pH 5.5): 10156.49; (7)ACD/KOC (pH 7.4): 10156.49; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.286; (12)Molar Refractivity: 31.21 cm³; (13)Molar Volume: 173.9 cm³; (14)Polarizability: 12.37x10^-24cm³; (15)Surface Tension: 14.9 dyne/cm; (16)Density: 1.506 g/cm³; (17)Flash Point: 20.6 °C; (18)Enthalpy of Vaporization: 32.34 kJ/mol; (19)Boiling Point: 82.9 °C at 760 mmHg; (20)Vapour Pressure: 77.2 mmHg at 25 °C.

Preparation: this chemical can be prepared by toluene-4-sulfonic acid 2,2,3,3,4,4,5,5,5-nonafluoro-1-fluoromethyl-pentyl ester. This reaction will need reagent of KF and various solvents. The reaction pressure is 300.0002 with reaction temperature of 120 °C. The yield is about 90%.

Uses of 1H,1H,1H-Nonafluoro-2-hexanone: it can be used to produce 5,5,6,6,7,7,8,8,8-nonafluoro-4-hydroxy-2-oxo-oct-3-enoic acid ethyl ester with oxalic acid diethyl ester. This reaction will need reagent of LiH and solvent of diethyl ether. This reaction needs heating. The reaction time is 16 hours. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(=O)C)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C6H3F9O/c1-2(16)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3
(3)InChIKey: LPPFRPMJUNOKRS-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H3F9O/c1-2(16)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3
(5)Std. InChIKey: LPPFRPMJUNOKRS-UHFFFAOYSA-N