1-Ethyl-2-phenylindole

The 1H-Indole,1-ethyl-2-phenyl-, with CAS registry number 13228-39-2, is also known as Indole,1-ethyl-2-phenyl- (8CI). It belongs to the following product categories: (1)Intermediates of Dyes and Pigments; (2)Indoles; (3)Simple Indoles. It has the systematic name of 1-ethyl-2-phenyl-1H-indole. When use this chemical, do not breathe dust and avoid contact with skin and eyes. What's more, its EINECS is 236-199-8.

Physical properties of 1H-Indole,1-ethyl-2-phenyl-: (1)ACD/LogP: 4.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.83; (4)ACD/LogD (pH 7.4): 4.83; (5)ACD/BCF (pH 5.5): 2753.09; (6)ACD/BCF (pH 7.4): 2753.09; (7)ACD/KOC (pH 5.5): 10088.33; (8)ACD/KOC (pH 7.4): 10088.33; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 4.93 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 72.4 cm³; (15)Molar Volume: 214.5 cm³; (16)Polarizability: 28.7×10^-24cm³; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.03 g/cm³; (19)Flash Point: 190 °C; (20)Enthalpy of Vaporization: 61.5 kJ/mol; (21)Boiling Point: 390.6 °C at 760 mmHg; (22)Vapour Pressure: 5.91E-06 mmHg at 25°C.

Uses of 1H-Indole,1-ethyl-2-phenyl-: it can be used to produce 1-ethyl-3-nitroso-2-phenyl-indole. This reaction will need reagents acetic acid, sodium nitrite.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc3c1cc(c2ccccc2)n3CC
(2)InChI: InChI=1/C16H15N/c1-2-17-15-11-7-6-10-14(15)12-16(17)13-8-4-3-5-9-13/h3-12H,2H2,1H3
(3)InChIKey: RAKSXVONTIQCGY-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C16H15N/c1-2-17-15-11-7-6-10-14(15)12-16(17)13-8-4-3-5-9-13/h3-12H,2H2,1H3
(5)Std. InChIKey: RAKSXVONTIQCGY-UHFFFAOYSA-N