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| CAS No.: | 1484-08-8 |
|---|---|
| Name: | 9-butyl-9H-carbazole |
| Article Data: | 91 |
| Molecular Structure: | |
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| Formula: | C16H17N |
| Molecular Weight: | 223.318 |
| Synonyms: | Carbazole,9-butyl- (7CI,8CI);9-Butyl-9H-carbazole;9-Butylcarbazole;N-Butylcarbazole;NSC 70992; |
| EINECS: | 216-051-9 |
| Density: | 1.04 g/cm3 |
| Melting Point: | 58°C |
| Boiling Point: | 373.9 °C at 760 mmHg |
| Flash Point: | 179.9 °C |
| PSA: | 4.93000 |
| LogP: | 4.59460 |
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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%.
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