5H-OCTAFLUOROPENTANOYL CHLORIDE

The Pentanoyl chloride,2,2,3,3,4,4,5,5-octafluoro-, with the CAS registry number 376-71-6, is also known as 2,2,3,3,4,4,5,5-Octafluorovaleryl chloride. This chemical's molecular formula is C₅HClF₈O and molecular weight is 264.5. What's more, its systematic name is 2,2,3,3,4,4,5,5-Octafluoropentanoyl chloride. 

Physical properties of Pentanoyl chloride,2,2,3,3,4,4,5,5-octafluoro- are: (1)ACD/LogP: 4.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.79; (4)ACD/LogD (pH 7.4): 4.79; (5)ACD/BCF (pH 5.5): 2563.34; (6)ACD/BCF (pH 7.4): 2563.34; (7)ACD/KOC (pH 5.5): 9585.61; (8)ACD/KOC (pH 7.4): 9585.61; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.306; (14)Molar Refractivity: 31.25 cm³; (15)Molar Volume: 163.6 cm³; (16)Polarizability: 12.39×10^-24 cm³; (17)Surface Tension: 17.1 dyne/cm; (18)Density: 1.615 g/cm³; (19)Flash Point: 9.1 °C; (20)Enthalpy of Vaporization: 33.13 kJ/mol; (21)Boiling Point: 91.4 °C at 760 mmHg; (22)Vapour Pressure: 53.9 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,2,3,3,4,4,5,5-octafluoro-pentanoic acid by heating. This reaction will need reagent PhCOCl and the yield is about 70%.

Uses of Pentanoyl chloride,2,2,3,3,4,4,5,5-octafluoro-: it can be used to produce 2-acetyl-4,4,5,5,6,6,7,7-octafluoro-3-oxo-heptanoic acid ethyl ester at the temperature of 10-15 °C. It will need reagent (EtO)₂Mg and solvent benzene with the reaction time of 1 hour. The yield is about 64%.

When you are using this chemical, please be cautious about it as the following:
It causes burns. 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)SMILES: FC(F)(C(F)(F)C(Cl)=O)C(F)(F)C(F)F
(2)InChI: InChI=1/C5HClF8O/c6-1(15)3(9,10)5(13,14)4(11,12)2(7)8/h2H
(3)InChIKey: GMTHNTFUIUGECX-UHFFFAOYSA-N