CAS No.2043-53-0,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2043-53-0
Name:	1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane
Article Data:	18

Formula:	C₁₀H₄F₁₇I
Molecular Weight:	574.019
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;
EINECS:	218-053-5
Density:	1.879g/cm³
Melting Point:	57-62 °C
Boiling Point:	178°C at 760 mmHg
Flash Point:	100.8°C
Solubility:	Insoluble in water.
Appearance:	Tan solid.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	0.00000
LogP:	6.82090

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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