N-PHENYLCARBAZOLE HYDROCHLORIDE

The N-Phenylcarbazole, with the CAS registry number 1150-62-5 and EINECS registry number 214-564-2, has the systematic name of 9-phenyl-9H-carbazole. And the molecular formula of this chemical is C₁₈H₁₃N. It belongs to the following product categories: Heterocycles; Carbazoles; Carbazoles (for Conduting Polymer Research); Functional Materials; Reagents for Conducting Polymer Research; carbazole; Building Blocks; Heterocyclic Building Blocks.

The physical properties of N-Phenylcarbazole are as following: (1)ACD/LogP: 6.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.2; (4)ACD/LogD (pH 7.4): 6.2; (5)ACD/BCF (pH 5.5): 30173.57; (6)ACD/BCF (pH 7.4): 30173.57; (7)ACD/KOC (pH 5.5): 55988.81; (8)ACD/KOC (pH 7.4): 55988.81; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.93 Ų; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 79.26 cm³; (15)Molar Volume: 219.1 cm³; (16)Polarizability: 31.42×10^-24cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 205 °C; (20)Enthalpy of Vaporization: 66.84 kJ/mol; (21)Boiling Point: 415.3 °C at 760 mmHg; (22)Vapour Pressure: 4.16E-07 mmHg at 25°C.

Preparation of N-Phenylcarbazole: This chemical can be prepared by carbazole and iodobenzene. The reaction will need reagents K₂CO₃ and copper bronze. The reaction time is 5 hours with temperature of 200°C, and the yield is about 52%. 

Uses of N-Phenylcarbazole: It can react with propionyl chloride to produce 1-(9-phenyl-9H-carbazol-3-yl)-propan-1-one. This reaction will need reagent AlCl₃, and the yield is about 59%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and has the risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear eye/face protection, and 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: c1cccc3c1c2c(cccc2)n3c4ccccc4
(2)InChI: InChI=1/C18H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H
(3)InChIKey: VIJYEGDOKCKUOL-UHFFFAOYAD