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Pentanal,2,2,3,3,4,4,5,5-octafluoro-

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Name

Pentanal,2,2,3,3,4,4,5,5-octafluoro-

EINECS N/A
CAS No. 2648-47-7 Density 1.508 g/cm3
PSA 17.07000 LogP 2.35630
Solubility N/A Melting Point N/A
Formula C5H2F8O Boiling Point 53.1 °C at 760 mmHg
Molecular Weight 230.058 Flash Point 5.6 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2648-47-7 (5H-OCTAFLUOROPENTANAL) Hazard Symbols IrritantXi
Synonyms

Valeraldehyde,2,2,3,3,4,4,5,5-octafluoro- (6CI,7CI,8CI);2,2,3,3,4,4,5,5-Octafluoropentanal;2,2,3,3,4,4,5,5-Octafluorovaleraldehyde;5-Hydrooctafluorovaleraldehyde;w-Hydrooctafluoropentanoicaldehyde;

Article Data 2

Pentanal,2,2,3,3,4,4,5,5-octafluoro- Specification

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%.

 Pentanal,2,2,3,3,4,4,5,5-octafluoro- 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

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%.

Pentanal,2,2,3,3,4,4,5,5-octafluoro- can be used to produce 1,1,2,2,3,3,4,4-octafluoro-5,5-bis-propylsulfanyl-pentane by heating

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

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