2-ETHYL-1H-INDENE

The 1H-Indene, 2-ethyl-, with CAS registry number 17059-50-6, belongs to the following product category: Indanone & Indene. It has the systematic name of 2-ethyl-1H-indene. Besides this, it is also called 2-ethylindene. When use this chemical, do not breathe vapour and avoid contact with skin and eyes.

 Physical properties of 1H-Indene, 2-ethyl-: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.03; (4)ACD/LogD (pH 7.4): 4.03; (5)ACD/BCF (pH 5.5): 678.68; (6)ACD/BCF (pH 7.4): 678.68; (7)ACD/KOC (pH 5.5): 3702.59; (8)ACD/KOC (pH 7.4): 3702.59; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 47.35 cm³; (15)Molar Volume: 147.3 cm³; (16)Polarizability: 18.77×10^-24cm³; (17)Surface Tension: 34.2 dyne/cm; (18)Density: 0.978 g/cm³; (19)Flash Point: 83.6 °C; (20)Enthalpy of Vaporization: 44.29 kJ/mol; (21)Boiling Point: 225.2 °C at 760 mmHg; (22)Vapour Pressure: 0.131 mmHg at 25°C.

Preparation: this chemical can be prepared by indan-2-one and bromoethane. This reaction will need reagents magnesium, p-toluenesulfonic acid hydrate and solvents diethyl ether, benzene. The reaction temperature is 0 - 20 ℃. The yield is about 59%.

Uses of 1H-Indene, 2-ethyl-: it can be used to produce 2-ethyl-indan. This reaction will need reagents platinium, diethyl ether. The reaction temperature is 20 ℃.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc\2c1C/C(=C/2)CC
(2)InChI: InChI=1/C11H12/c1-2-9-7-10-5-3-4-6-11(10)8-9/h3-7H,2,8H2,1H3
(3)InChIKey: BSHJHVHMLRKHBZ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H12/c1-2-9-7-10-5-3-4-6-11(10)8-9/h3-7H,2,8H2,1H3
(5)Std. InChIKey: BSHJHVHMLRKHBZ-UHFFFAOYSA-N