2-Phenylindole

The 2-Phenylindole, with the CAS registry number 948-65-2, is also known as alpha-Phenylindole. It belongs to the product categories of Indole; Heterocyclic Compounds; Indoles; Simple Indoles; Building Blocks; Heterocyclic Building Blocks. Its EINECS registry number is 213-436-3. This chemical's molecular formula is C₁₄H₁₁N and molecular weight is 193.24. Its IUPAC name is called 2-phenyl-1H-indole.

Physical properties of 2-Phenylindole: (1)ACD/LogP: 4.68; (2)ACD/LogD (pH 5.5): 4.68; (3)ACD/LogD (pH 7.4): 4.68; (4)ACD/BCF (pH 5.5): 2106.3; (5)ACD/BCF (pH 7.4): 2106.3; (6)ACD/KOC (pH 5.5): 8328.61; (7)ACD/KOC (pH 7.4): 8328.61; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.679; (12)Molar Refractivity: 63.12 cm³; (13)Molar Volume: 167.1 cm³; (14)Surface Tension: 49.8 dyne/cm; (15)Density: 1.156 g/cm³; (16)Flash Point: 176.6 °C; (17)Enthalpy of Vaporization: 64.75 kJ/mol; (18)Boiling Point: 419.9 °C at 760 mmHg; (19)Vapour Pressure: 7.18E-07 mmHg at 25°C.

Preparation of 2-Phenylindole: this chemical can be prepared by benzene hydrazine and acetophenone via Fisher reaction. This reaction will need reagent ZnCl₂.

Uses of 2-Phenylindole: it can be used to produce 3-(2-nitro-1-phenyl-ethyl)-2-phenyl-indole with (2-nitro-vinyl)-benzene at temperature of 20 °C. This reaction is a kind of Michael addition. It will need reagent InBr₃ and solvents H₂O, tetrahydrofuran with reaction time of 16 hours. The yield is about 75%.

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 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 eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2
(2)InChI: InChI=1S/C14H11N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10,15H
(3)InChIKey: KLLLJCACIRKBDT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 6gm/kg (6000mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 44, 1960.