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Dodecane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heneicosafluoro-12-iodo- (2043-54-1)

Identification
Name:Dodecane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heneicosafluoro-12-iodo-
Synonyms:1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Heneicosafluoro-12-iodododecane;1-(2-Iodoethyl)heneicosafluorodecane;1-Iodo-1H,1H,2H,2H-perfluorododecane;1-Iodo-2-(perfluorodecanyl)ethane;2-(Perfluorodecyl)ethyl iodide;Perfluorodecylethyl iodide;1,1,2,2-Tetrahydroperfluorododecyl iodide;
CAS:2043-54-1
EINECS: 218-054-0
Molecular Formula: C12H4F21I
Molecular Weight: 674.03
InChI: InChI=1/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2
Molecular Structure: (C12H4F21I) 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Heneicosafluoro-12-iodododecane;1-(2-Iodoethyl)heneicosa...
Properties
Density:1.82
Stability:Stable under normal temperatures and pressures.
Refractive index:1.324
Appearance:Clear liquid
Specification:

The CAS register number of 1,1,2,2-Tetrahydroperfluorododecyl iodide is 2043-54-1. It also can be called as Dodecane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heneicosafluoro-12-iodo- and the IUPAC name about this chemical is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodododecane. The molecular formula about this chemical is C12H4F21I and the molecular weight is 674.03.

Physical properties about 1,1,2,2-Tetrahydroperfluorododecyl iodide are: (1)ACD/LogP: 10.06; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.06; (4)ACD/LogD (pH 7.4): 10.06; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 7092721.5; (8)ACD/KOC (pH 7.4): 7092721.5; (9)#Freely Rotating Bonds: 10; (10)Index of Refraction: 1.33; (11)Molar Refractivity: 73.7 cm3; (12)Molar Volume: 360.3 cm3; (13)Polarizability: 29.22x10-24cm3; (14)Surface Tension: 17.2 dyne/cm; (15)Enthalpy of Vaporization: 47.72 kJ/mol; (16)Boiling Point: 259.7 °C at 760 mmHg; (17)Vapour Pressure: 0.0207 mmHg at 25°C.

Uses of 1,1,2,2-Tetrahydroperfluorododecyl iodide: it can be used to produce 12-azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heneicosafluoro-dodecane. This reaction will need reagent NaN3.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into 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)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2
(3)InChIKey: HVWXRMINOYZYCK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2
(5)Std. InChIKey: HVWXRMINOYZYCK-UHFFFAOYSA-N

Storage Temperature: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Sensitive: Light Sensitive
Safety Data
Hazard Symbols Xi:Irritant
 

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