9-(2-chloroethyl)-9H-carbazole

The 9H-Carbazole,9-(2-chloroethyl)-, with the CAS registry number 1140-35-8, is also known as N-(2-Chloroethyl)carbazole. This chemical's molecular formula is C₁₄H₁₂ClN and molecular weight is 229.70. What's more, its systematic name is 9-(2-Chloroethyl)-9H-carbazole.

Physical properties of 9H-Carbazole,9-(2-chloroethyl)- are: (1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.59; (4)ACD/LogD (pH 7.4): 4.59; (5)ACD/BCF (pH 5.5): 1808.9; (6)ACD/BCF (pH 7.4): 1808.9; (7)ACD/KOC (pH 5.5): 7468.86; (8)ACD/KOC (pH 7.4): 7468.86; (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: 1.623; (14)Molar Refractivity: 67.97 cm³; (15)Molar Volume: 192.5 cm³; (16)Polarizability: 26.94×10^-24 cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 189.1 °C; (20)Enthalpy of Vaporization: 63.84 kJ/mol; (21)Boiling Point: 389.1 °C at 760 mmHg; (22)Vapour Pressure: 2.91E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by carbazole and 1,2-dichloro-ethane at the temperature of 45-50 °C. This reaction will need reagents Bu₄NBr, KOH, K₂CO₃ with the reaction time of 5.5 hours. The yield is about 90%.

Uses of 9H-Carbazole,9-(2-chloroethyl)-: it can be used to produce 9-vinyl-carbazole by heating. It will need reagents KOH, hydroquinone and solvent propan-2-ol with the reaction time of 1 hour. The yield is about 87%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2CCCl
(2)InChI: InChI=1S/C14H12ClN/c15-9-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8H,9-10H2
(3)InChIKey: CVSBRGRSQUGIKO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	50mg/kg (50mg/kg)		National Technical Information Service. Vol. AD277-689.