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9H-Carbazole,3,6-dibromo-9-ethyl- (33255-13-9)

Identification
Name:9H-Carbazole,3,6-dibromo-9-ethyl-
Synonyms:Carbazole,3,6-dibromo-9-ethyl- (8CI);3,6-Dibromo-9-ethyl-9H-carbazole;3,6-Dibromo-9-ethylcarbazole;3,6-Dibromo-N-ethylcarbazole;N-Ethyl-3,6-dibromocarbazole;
CAS:33255-13-9
Molecular Formula: C14H11Br2N
Molecular Weight: 353.05
InChI: InChI=1/C14H11Br2N/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17/h3-8H,2H2,1H3
Molecular Structure: (C14H11Br2N) Carbazole,3,6-dibromo-9-ethyl- (8CI);3,6-Dibromo-9-ethyl-9H-carbazole;3,6-Dibromo-9-ethylcarbazole;3...
Properties
Melting Point: 141 °C
Density:1.7 g/cm3
Refractive index:1.678
Specification:

The 3,6-Dibromo-9-ethylcarbazole, with the CAS registry number 33255-13-9, is also called 9H-carbazole, 3,6-dibromo-9-ethyl-. It belongs to the following product categories: Carbazoles; Carbazoles (for Conduting Polymer Research); Functional Materials; Reagents for Conducting Polymer Research; Carbazole. And the molecular formula of the chemical is C14H11Br2N.

The characteristics of 3,6-Dibromo-9-ethylcarbazole are as followings: (1)ACD/LogP: 6.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.06; (4)ACD/LogD (pH 7.4): 6.06; (5)ACD/BCF (pH 5.5): 23945.99; (6)ACD/BCF (pH 7.4): 23945.99; (7)ACD/KOC (pH 5.5): 47450.46; (8)ACD/KOC (pH 7.4): 47450.46; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 78.3 cm3; (15)Molar Volume: 207.4 cm3; (16)Polarizability: 31.04×10-24cm3; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.7 g/cm3; (19)Flash Point: 224 °C; (20)Enthalpy of Vaporization: 70.49 kJ/mol; (21)Boiling Point: 446.7 °C at 760 mmHg; (22)Vapour Pressure: 3.57E-08 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc3cc2c1cc(Br)ccc1n(c2cc3)CC
(2)InChI: InChI=1/C14H11Br2N/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17/h3-8H,2H2,1H3
(3)InChIKey: GZBJRMVGNVDUCO-UHFFFAOYAJ

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