1-IODOHEXADECANE

The Hexadecane, 1-iodo-, with the CAS registry number 544-77-4, is also known as Hexadecyl iodide. It belongs to the product category of Miscellaneous. Its EINECS registry number is 208-879-4. This chemical's molecular formula is C₁₆H₃₃I and molecular weight is 352.33769. Its IUPAC name is called 1-iodohexadecane. This chemical is colourless liquid, may discolour in light.

Physical properties of Hexadecane, 1-iodo-: (1)ACD/LogP: 9.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.47; (4)ACD/LogD (pH 7.4): 9.47; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3365917.25; (8)ACD/KOC (pH 7.4): 3365917.25; (9)#Freely Rotating Bonds: 14; (10)Index of Refraction: 1.484; (11)Molar Refractivity: 89.14 cm³; (12)Molar Volume: 311.4 cm³; (13)Surface Tension: 32.3 dyne/cm; (14)Density: 1.131 g/cm³; (15)Flash Point: 137.5 °C; (16)Enthalpy of Vaporization: 57.92 kJ/mol; (17)Boiling Point: 357.6 °C at 760 mmHg; (18)Vapour Pressure: 5.57E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by hexadecan-1-ol. This reaction will need reagent methyltriphenoxyphosphonium iodide and solvent dimethylformamide. The reaction time is 20 min with reaction temperature of 20 °C. The yield is about 76%.

Uses of Hexadecane, 1-iodo-: it can be used to produce hexadecane at temperature of 20 °C. This reaction will need reagent hydrogen, palladium-calcium carbonate andpotassium hydroxide.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCI
(2)InChI: InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
(3)InChIKey: KMWHQYDMBYABKL-UHFFFAOYSA-N