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Decane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodo- (2043-53-0)

Identification
Name:Decane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodo-
Synonyms:1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane;1,1,2,2-Tetrahydroperfluorodecyl iodide;1-(2-Iodoethyl)heptadecafluorooctane;1-(Perfluorooctyl)-2-iodoethane;1-Iodo-1,1,2,2-tetrahydroperfluorodecane;1-Iodo-1H,1H,2H,2H-perfluorodecane;1-Iodo-2-(perfluorooctyl)ethane;1-Iodo-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane;1H,1H,2H,2H-Heptadecaflurorodecyl iodide;1H,1H,2H,2H-Perfluorodecyl iodide;2-(Perfluorooctyl)ethyl iodide;2-(n-Perfluorooctyl)ethyl iodide;3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-iododecane;3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl iodide;Perfluorooctylethyl iodide;
CAS:2043-53-0
EINECS: 218-053-5
Molecular Formula: C10H4F17I
Molecular Weight: 574.02
InChI: InChI=1/C10H4F17I/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2
Molecular Structure: (C10H4F17I) 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane;1,1,2,2-Tetrahydroperfluorodecyl iod...
Properties
Flash Point: 100.8°C
Density:1.88g/ml
Stability:Stable.
Refractive index:1.3388 (60 C)
Appearance:Tan solid.
Specification:

The 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane, with the cas registry number 2043-53-0, is also called 1H,1H,2H,2H-Perfluorodecyl iodide; 2-(Perfluorooctyl)ethyl iodide, and it is a kind of stable solid. Its product belongs to the category of Organic Fluorides, and the molecular formula of the chemical is C10H4F17I.

The characteristics of this chemical are as followings: (1)ACD/LogP: 8.28; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.28; (4)ACD/LogD (pH 7.4): 8.28; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 764478.31; (8)ACD/KOC (pH 7.4): 764478.31; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.339; (14)Molar Refractivity: 63.85 cm3; (15)Molar Volume: 305.4 cm3; (16)Polarizability: 25.31×10-24cm3; (17)Surface Tension: 17.6 dyne/cm; (18)Density: 1.879 g/cm3; (19)Flash Point: 100.8 °C; (20)Enthalpy of Vaporization: 44.37 kJ/mol; (21)Boiling Point: 225.9 °C at 760 mmHg; (22)Vapour Pressure: 0.126 mmHg at 25°C.

Preparation: This chemical can be prepared by 8H-heptadecafluoro-8-iodo-octane and ethene. The reaction will need reagent benzoyl peroxide. The reaction time is 5 hour with the temperature of 85°C, and the yield  is about 99.3%. 

 

Uses of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane: It can react with carbon monoxide to produce 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoic acid. This reaction will need reagent KF and H2O, catalyst (Ph3P)2PdCl2 and 5 molpercentand, and the menstruum 2-methyl-propan-2-ol. The reaction time is 15 hour with temperature of  80°C, and the yield  is about 89%.    

 

You should be cautious while dealing with this chemical. It irritates to the skin eyes and respiratory system. Therefore, you had better take the following instructions: Wear suitable  gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C10H4F17I/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2
(3)InChIKey: XVKJSLBVVRCOIT-UHFFFAOYAG

Flash Point: 100.8°C
Storage Temperature: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light.
Sensitive: Light Sensitive
Safety Data
Hazard Symbols Xi:Irritant
 

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