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| CAS No.: | 574-39-0 |
|---|---|
| Name: | 9-ACETYLCARBAZOLE 97 |
| Molecular Structure: | |
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| Formula: | C14H11NO |
| Molecular Weight: | 209.247 |
| Synonyms: | 9H-Carbazole,9-acetyl- (9CI);Carbazole, 9-acetyl- (6CI,7CI,8CI);9-Acetyl-9H-carbazole;9-Acetylcarbazole;N-Acetylcarbazole;NSC 39028; |
| Density: | 1.16 g/cm3 |
| Melting Point: | 77-79 °C(lit.) |
| Boiling Point: | 315.5 °C at 760 mmHg |
| Flash Point: | 144.6 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
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Specification
The Ethanone,1-(9H-carbazol-9-yl)-, with the CAS registry number 574-39-0, is also known as N-Acetylcarbazole. It belongs to the product categories of Building Blocks; Carbazoles; Heterocyclic Building Blocks. This chemical's molecular formula is C14H11NO and molecular weight is 209.24. What's more, its systematic name is 1-carbazol-9-ylethanone.
Physical properties of Ethanone,1-(9H-carbazol-9-yl)- are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 333.96; (6)ACD/BCF (pH 7.4): 333.96; (7)ACD/KOC (pH 5.5): 2228.76; (8)ACD/KOC (pH 7.4): 2228.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 64.03 cm3; (15)Molar Volume: 179.6 cm3; (16)Polarizability: 25.38×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 144.6 °C; (20)Enthalpy of Vaporization: 55.68 kJ/mol; (21)Boiling Point: 315.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000435 mmHg at 25°C.
Preparation of Ethanone,1-(9H-carbazol-9-yl)-: this chemical can be prepared by carbazole and acetic acid anhydride at the ambient temperature. This reaction will need reagent 30% HClO4 with the reaction time of 15 min. The yield is about 95%.
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Uses of Ethanone,1-(9H-carbazol-9-yl)-: it can be used to produce 1-(9-acetyl-carbazol-2-yl)-2-chloro-ethanone at the ambient temperature. It will need reagent AlCl3 and solvent 1,2-dichloro-ethane with the reaction time of 6.5 hours. The yield is about 96%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)N1C2=CC=CC=C2C3=CC=CC=C31
(2)InChI: InChI=1S/C14H11NO/c1-10(16)15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9H,1H3
(3)InChIKey: CADSTRJVECIIAT-UHFFFAOYSA-N