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CAS No.: | 20825-07-4 |
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Name: | 1,1,1,5,5,6,6,6-OCTAFLUORO-2,4-HEXANEDIONE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H2F8O2 |
Molecular Weight: | 258.07 |
Synonyms: | 1,1,1,5,5,6,6,6-Octafluoro-2,4-hexanedione;1,1,1,5,5,6,6,6-Octafluorohexane-2,4-dione; |
Density: | 1.558 g/cm3 |
Boiling Point: | 118.7 °C at 760 mmHg |
Flash Point: | 37.9 °C |
Appearance: | clear yellowish liquid |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36 |
PSA: | 34.14000 |
LogP: | 2.27460 |
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The 2,4-Hexanedione,1,1,1,5,5,6,6,6-octafluoro-, with the CAS registry number 20825-07-4, is also known as 1,1,1,5,5,6,6,6-Octafluoro-2,4-hexanedione. It belongs to the product categories of C3 to C6; Carbonyl Compounds; Ketones. This chemical's molecular formula is C6H2F8O2 and molecular weight is 258.07. What's more, its IUPAC name is 1,1,1,5,5,6,6,6-octafluorohexane-2,4-dione.
Physical properties of 2,4-Hexanedione,1,1,1,5,5,6,6,6-octafluoro- are: (1)ACD/LogP: 5.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.82; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 1477.54; (6)ACD/BCF (pH 7.4): 78.82; (7)ACD/KOC (pH 5.5): 3135.09; (8)ACD/KOC (pH 7.4): 167.24; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.301; (14)Molar Refractivity: 31.11 cm3; (15)Molar Volume: 165.5 cm3; (16)Polarizability: 12.33×10-24cm3; (17)Surface Tension: 18.2 dyne/cm; (18)Density: 1.558 g/cm3; (19)Flash Point: 37.9 °C; (20)Enthalpy of Vaporization: 35.69 kJ/mol; (21)Boiling Point: 118.7 °C at 760 mmHg; (22)Vapour Pressure: 16.5 mmHg at 25°C.
Preparation of 2,4-Hexanedione,1,1,1,5,5,6,6,6-octafluoro-: this chemical can be prepared by 1,1,1,5,5,6,6,6-octafluoro-hexane-2,4-dione dihydrate. This reaction will need reagent conc. H2SO4. The yield is about 89.4%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(=O)C(C(F)(F)F)(F)F)C(=O)C(F)(F)F
(2)InChI: InChI=1S/C6H2F8O2/c7-4(8,6(12,13)14)2(15)1-3(16)5(9,10)11/h1H2
(3)InChIKey: MGKBKOFWQWACLM-UHFFFAOYSA-N