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| CAS No.: | 86-20-4 |
|---|---|
| Name: | 9-Ethyl-3-nitrocarbazole |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C14H12N2O2 |
| Molecular Weight: | 240.261 |
| Synonyms: | Carbazole,9-ethyl-3-nitro- (7CI,8CI);3-Nitro-9-ethylcarbazole;3-Nitro-N-ethylcarbazole;9-Ethyl-3-nitro-9H-carbazole;9-Ethyl-3-nitrocarbazole;N-Ethyl-3-nitrocarbazole;NSC 17817; |
| EINECS: | 201-655-7 |
| Density: | 1.27 g/cm3 |
| Melting Point: | 128-130 °C(lit.) |
| Boiling Point: | 362.3 °C at 760 mmHg |
| Flash Point: | 172.9 °C |
| Appearance: | white crystalline powder |
| Safety: | 22-24/25 |
| Transport Information: | 25kgs |
| PSA: | 50.75000 |
| LogP: | 4.24580 |
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Specification
The 9-Ethyl-3-nitrocarbazole with the CAS number 86-20-4 is also called 9H-Carbazole,9-ethyl-3-nitro-. The systematic name is 9-ethyl-3-nitro-9H-carbazole. Its molecular formula is C14H12N2O2. The EINECS registry number is 201-655-7. This chemical belongs to the following product categories: (1)Miscellaneous; (2)API intermediates; (3)Building Blocks; (4)Carbazoles; (5)Heterocyclic Building Blocks. While using this chemical, you should not breathe dust and avoid it contact with skin and eyes.
The properties of the 9-Ethyl-3-nitrocarbazole are: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 1002.42; (6)ACD/BCF (pH 7.4): 1002.42; (7)ACD/KOC (pH 5.5): 4895; (8)ACD/KOC (pH 7.4): 4895; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.75 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 68.84 cm3; (15)Molar Volume: 187.7 cm3; (16)Polarizability: 27.29×10-24cm3; (17)Surface Tension: 51.3 dyne/cm; (18)Enthalpy of Vaporization: 60.83 kJ/mol; (19)Vapour Pressure: 1.95×10-5 mmHg at 25°C.
Preparation: This chemical can be prepared by 9-ethyl-carbazole. This reaction needs reagent 100percent HNO3 and solvent acetic acid at temperature of 23 °C. The reaction time is 6.0 hours. The yield is 89%.
Uses: This chemical can prepare 9-ethyl-carbazol-3-ylamine. This reaction needs reagent conc. HCl, SnCl2 and solvent ethanol at heating condition. The reaction time is 2.0 hours. The yield is 69%.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3cc2c1ccccc1n(c2cc3)CC
(2)InChI: InChI=1/C14H12N2O2/c1-2-15-13-6-4-3-5-11(13)12-9-10(16(17)18)7-8-14(12)15/h3-9H,2H2,1H3
(3)InChIKey: WONHLSYSHMRRGO-UHFFFAOYAN