1H,1H,7H-DODECAFLUOROHEPTYL IODIDE

The Heptane,1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-iodo-, with the CAS registry number 376-32-9, is also known as 1H,1H,7H-1-Iodoperfluoroheptane. This chemical's molecular formula is C₇H₃F₁₂I and molecular weight is 441.98. What's more, its systematic name is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-iodoheptane.

Physical properties of Heptane,1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-iodo- are: (1)ACD/LogP: 5.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.56; (4)ACD/LogD (pH 7.4): 5.56; (5)ACD/BCF (pH 5.5): 9869.35; (6)ACD/BCF (pH 7.4): 9869.35; (7)ACD/KOC (pH 5.5): 25159.45; (8)ACD/KOC (pH 7.4): 25159.45; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.349; (14)Molar Refractivity: 49.2 cm³; (15)Molar Volume: 228.8 cm³; (16)Polarizability: 19.5×10^-24 cm³; (17)Surface Tension: 18 dyne/cm; (18)Density: 1.93 g/cm³; (19)Flash Point: 73.9 °C; (20)Enthalpy of Vaporization: 39.91 kJ/mol; (21)Boiling Point: 179.9 °C at 760 mmHg; (22)Vapour Pressure: 1.24 mmHg at 25°C.

Preparation: this chemical can be prepared by toluene-4-sulfonic acid-(1H,1H,7H-dodecafluoro-heptyl ester) by heating. This reaction will need reagent KI and solvent bis-(2-hydroxy-ethyl) ether. The yield is about 82%.

Uses of Heptane,1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-iodo-: it can be used to produce 1-(Dichloroiodo)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptane. It will need reagent Cl₂. The yield is about 70%.

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: FC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)CI
(2)InChI: InChI=1/C7H3F12I/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-20/h2H,1H2
(3)InChIKey: SSWJUMWKQPCAEB-UHFFFAOYAC