(2-IODOETHYL)BENZENE

The Benzene, (2-iodoethyl)- is an organic compound with the formula C₈H₉I. The IUPAC name of this chemical is 2-Iodoethylbenzene. With the CAS registry number 17376-04-4, it is also named as β-Phenethyl iodide. The product's categories are Aryl; C8; Halogenated Hydrocarbons. Besides, its molecular weight is clear red-brown liquid.

Physical properties about Benzene, (2-iodoethyl)- are: (1)ACD/LogP: 3.61; (2)ACD/LogD (pH 5.5): 3.61; (3)ACD/LogD (pH 7.4): 3.61; (4)ACD/BCF (pH 5.5): 323.98; (5)ACD/BCF (pH 7.4): 323.98; (6)ACD/KOC (pH 5.5): 2180.87; (7)ACD/KOC (pH 7.4): 2180.87; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.607; (10)Molar Refractivity: 48.77 cm³; (11)Molar Volume: 141 cm³; (12)Polarizability: 19.33×10^-24 cm³; (13)Surface Tension: 41.4 dyne/cm; (14)Density: 1.644 g/cm³; (15)Flash Point: 110 °C; (16)Enthalpy of Vaporization: 46.96 kJ/mol; (17)Boiling Point: 252 °C at 760 mmHg; (18)Vapour Pressure: 0.0315 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-Phenyl-ethanol. This reaction will need reagents I₂; imidazole; PPh₃ solvent diethyl ether. The reaction time is 1 hour with reaction temperature of 0 °C. The yield is about 100%.

Uses of Benzene, (2-iodoethyl)-: it can be used to produce 4-Methyl-1-phenethyl-quinolinium iodide. It will need solvent acetone. The yield is about 75.5%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H9I/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
(2)InChIKey: KVTHPKXDLVYNCH-UHFFFAOYAF
(3)Std. InChI: InChI=1S/C8H9I/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
(4)Std. InChIKey: KVTHPKXDLVYNCH-UHFFFAOYSA-N