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9H-Carbazole, 9-butyl-

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Name

9H-Carbazole, 9-butyl-

EINECS 216-051-9
CAS No. 1484-08-8 Density 1.04 g/cm3
PSA 4.93000 LogP 4.59460
Solubility N/A Melting Point 58°C
Formula C16H17N Boiling Point 373.9 °C at 760 mmHg
Molecular Weight 223.318 Flash Point 179.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1484-08-8 (9-butyl-9H-carbazole) Hazard Symbols N/A
Synonyms

Carbazole,9-butyl- (7CI,8CI);9-Butyl-9H-carbazole;9-Butylcarbazole;N-Butylcarbazole;NSC 70992;

Article Data 91

9H-Carbazole, 9-butyl- Specification

The 9H-Carbazole, 9-butyl-, with the CAS registry number 1484-08-8, is also known as 9-Butyl-9H-carbazole. Its EINECS registry number is 216-051-9. This chemical's molecular formula is C16H17N and molecular weight is 223.31288. Its IUPAC name is called 9-butylcarbazole.

Physical properties of 9H-Carbazole, 9-butyl-: (1)ACD/LogP: 5.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.58; (4)ACD/LogD (pH 7.4): 5.58; (5)ACD/BCF (pH 5.5): 10324.72; (6)ACD/BCF (pH 7.4): 10324.72; (7)ACD/KOC (pH 5.5): 25985.04; (8)ACD/KOC (pH 7.4): 25985.04; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 72.4 cm3; (13)Molar Volume: 214.5 cm3; (14)Surface Tension: 38.4 dyne/cm; (15)Density: 1.04 g/cm3; (16)Flash Point: 179.9 °C; (17)Enthalpy of Vaporization: 62.12 kJ/mol; (18)Boiling Point: 373.9 °C at 760 mmHg; (19)Vapour Pressure: 8.69E-06 mmHg at 25°C.

Preparation of 9H-Carbazole, 9-butyl-: this chemical can be prepared by carbazole and 1-bromo-butane. This reaction is a kind of Alkylation. It will need reagents TEBACl, aq. NaOH and solvent toluene. The reaction time is 3 hours with reaction temperature of 100 °C. The yield is about 80%.

9H-Carbazole, 9-butyl- can be prepared by carbazole and 1-bromo-butane

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCN1C2=CC=CC=C2C3=CC=CC=C31
(2)InChI: InChI=1S/C16H17N/c1-2-3-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11H,2-3,12H2,1H3
(3)InChIKey: SQFONLULGFXJAA-UHFFFAOYSA-N

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