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Pentanoyl chloride,2,2,3,3,4,4,5,5-octafluoro-

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Name

Pentanoyl chloride,2,2,3,3,4,4,5,5-octafluoro-

EINECS 206-556-2
CAS No. 376-71-6 Density 1.615 g/cm3
PSA 17.07000 LogP 2.92280
Solubility N/A Melting Point N/A
Formula C5HClF8O Boiling Point 91.4 °C at 760 mmHg
Molecular Weight 264.503 Flash Point 9.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 376-71-6 (5H-OCTAFLUOROPENTANOYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

2,2,3,3,4,4,5,5-Octafluorovaleryl chloride;Valerylchloride, 2,2,3,3,4,4,5,5-octafluoro- (6CI,7CI,8CI);2,2,3,3,4,4,5,5-Octafluoropentanoyl chloride;5H-Octafluoropentanoyl chloride;

Article Data 3

Pentanoyl chloride,2,2,3,3,4,4,5,5-octafluoro- Specification

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%.

Pentanoyl chloride,2,2,3,3,4,4,5,5-octafluoro- can be prepared by 2,2,3,3,4,4,5,5-octafluoro-pentanoic acid by heating

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%.

Pentanoyl chloride,2,2,3,3,4,4,5,5-octafluoro- 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

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

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