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| CAS No.: | 355-17-9 |
|---|---|
| Name: | METHYL HEPTAFLUOROPROPYL KETONE |
| Molecular Structure: | |
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|
|
| Formula: | C5H3F7O |
| Molecular Weight: | 212.067 |
| Synonyms: | 3,3,4,4,5,5,5-Heptafluoropentan-2-one;HFK 447mcc;Heptafluoropropyl methyl ketone;Methyl heptafluoropropyl ketone;3,3,4,4,5,5,5-Heptafluoropentan-2-one;1,1,1,2,2,3,3-Heptafluoro-4-pentanone; |
| EINECS: | 206-577-7 |
| Density: | 1.447 g/cm3 |
| Boiling Point: | 57.3 °C at 760 mmHg |
| Flash Point: | 7.8 °C |
| Hazard Symbols: |
 F
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 17.07000 |
| LogP: | 2.40830 |
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Specification
The 2-Pentanone,3,3,4,4,5,5,5-heptafluoro-, with the CAS registry number 355-17-9, is also known as Methyl heptafluoropropyl ketone. Its EINECS number is 206-577-7. This chemical's molecular formula is C5H3F7O and molecular weight is 212.07. What's more, its systematic name is 3,3,4,4,5,5,5-Heptafluoropentan-2-one.
Physical properties of 2-Pentanone,3,3,4,4,5,5,5-heptafluoro- are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 259.13; (6)ACD/BCF (pH 7.4): 259.13; (7)ACD/KOC (pH 5.5): 1858.67; (8)ACD/KOC (pH 7.4): 1858.67; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.286; (14)Molar Refractivity: 26.28 cm3; (15)Molar Volume: 146.4 cm3; (16)Polarizability: 10.42×10-24 cm3; (17)Surface Tension: 14.9 dyne/cm; (18)Density: 1.447 g/cm3; (19)Flash Point: 7.8 °C; (20)Enthalpy of Vaporization: 30.01 kJ/mol; (21)Boiling Point: 57.3 °C at 760 mmHg; (22)Vapour Pressure: 218 mmHg at 25°C.
Uses of 2-Pentanone,3,3,4,4,5,5,5-heptafluoro-: it can be used to produce 3,3,4,4,5,5,5-heptafluoro-pentan-2-ol at the ambient temperature. It will need reagents baker's yeast, soluble starch and solvent H2O with the reaction time of 10 days. The yield is about 68%.
When you are using this chemical, please be cautious about it as the following:
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, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C(C(C(F)(F)F)(F)F)(F)F
(2)InChI: InChI=1S/C5H3F7O/c1-2(13)3(6,7)4(8,9)5(10,11)12/h1H3
(3)InChIKey: XJYXROGTQYHLTH-UHFFFAOYSA-N