5H-OCTAFLUOROPENTANAL

The Pentanal,2,2,3,3,4,4,5,5-octafluoro-, with the CAS registry number 2648-47-7, is also known as 2,2,3,3,4,4,5,5-Octafluorovaleraldehyde. This chemical's molecular formula is C₅H₂F₈O and molecular weight is 230.06. What's more, its systematic name is 2,2,3,3,4,4,5,5-Octafluoropentanal.

Physical properties of Pentanal,2,2,3,3,4,4,5,5-octafluoro- are: (1)ACD/LogP: 4.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.17; (4)ACD/LogD (pH 7.4): 4.17; (5)ACD/BCF (pH 5.5): 875.75; (6)ACD/BCF (pH 7.4): 875.75; (7)ACD/KOC (pH 5.5): 4443.82; (8)ACD/KOC (pH 7.4): 4443.82; (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: 1.277; (14)Molar Refractivity: 26.56 cm³; (15)Molar Volume: 152.4 cm³; (16)Polarizability: 10.53×10^-24 cm³; (17)Surface Tension: 14.7 dyne/cm; (18)Density: 1.508 g/cm³; (19)Flash Point: 5.6 °C; (20)Enthalpy of Vaporization: 29.63 kJ/mol; (21)Boiling Point: 53.1 °C at 760 mmHg; (22)Vapour Pressure: 258 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-chloro-3,5-bis(1,1,2,2,3,3,4,4-octafluorobutyl)-2,2-diphenyl-1,4,2-dioxaphospholane by heating and the yield is about 75%.

 

Uses of Pentanal,2,2,3,3,4,4,5,5-octafluoro-: it can be used to produce 1,1,2,2,3,3,4,4-octafluoro-5,5-bis-propylsulfanyl-pentane by heating. It will need reagents phosphorus pentoxide, hexamethyldisiloxane and solvent CH₂Cl₂ with the reaction time of 12 hours. The yield is about 80.9%.

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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F
(2)InChI: InChI=1S/C5H2F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h1-2H
(3)InChIKey: BQFRALWVZATVGY-UHFFFAOYSA-N