2-ETHYLHEXYL IODIDE

This chemical is called Heptane, 3-(iodomethyl)-, and its systematic name is 3-(iodomethyl)heptane. With the molecular formula of C₈H₁₇I, its CAS registry number is 1653-16-3. In addition, this chemical should be sealed in the ventilated and dry plcace. 

Other characteristics of the Heptane, 3-(iodomethyl)- can be summarised as followings: (1)ACD/LogP: 5.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.03; (4)ACD/LogD (pH 7.4): 5.03; (5)ACD/BCF (pH 5.5): 3931.72; (6)ACD/BCF (pH 7.4): 3931.72; (7)ACD/KOC (pH 5.5): 13019.53; (8)ACD/KOC (pH 7.4): 13019.53; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5 ; (12)Index of Refraction: 1.49; (13)Molar Refractivity: 52.03 cm³; (14)Molar Volume: 179.7 cm³; (15)Polarizability: 20.63×10^-24cm³; (16)Surface Tension: 30.2 dyne/cm; (17)Density: 1.335 g/cm³; (18)Flash Point: 74.3 °C; (19)Enthalpy of Vaporization: 43.51 kJ/mol; (20)Boiling Point: 217.2 °C at 760 mmHg; (21)Vapour Pressure: 0.198 mmHg at 25°C.

Production method of this chemical: The Heptane, 3-(iodomethyl)- could be obtained by the reactant of 2-ethyl-hexan-1-ol. This reaction needs the reagent of red phosphorus, iodine. Additionally, this reaction should be taken at the temperature of 180 °C.

Uses of this chemical: The Heptane, 3-(iodomethyl)- could react with lithium trimethylsilyldiazomethane, and obtain the C₁₂H₂₆N₂Si. This reaction needs the solvent of tetrahydrofuran. The yield is 79 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: ICC(CC)CCCC
2.InChI: InChI=1/C8H17I/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
3.InChIKey: WNPGSEJRPYSCDQ-UHFFFAOYAV