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1,1,2,2-Tetrahydroperfluorododecyl iodide

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Name

1,1,2,2-Tetrahydroperfluorododecyl iodide

EINECS 218-054-0
CAS No. 2043-54-1 Density 1.87 g/cm3
PSA 0.00000 LogP 8.09150
Solubility N/A Melting Point 83-88 °C
Formula C12H4F21I Boiling Point 259.7 °C at 760 mmHg
Molecular Weight 674.035 Flash Point 120.2 °C
Transport Information N/A Appearance Clear liquid
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2043-54-1 (1,1,2,2-Tetrahydroperfluorododecyl iodide) Hazard Symbols IrritantXi
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;

Article Data 4

1,1,2,2-Tetrahydroperfluorododecyl iodide 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

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