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| CAS No.: | 86-79-3 |
|---|---|
| Name: | 2-HYDROXYCARBAZOLE |
| Molecular Structure: | |
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| Formula: | C12H9NO |
| Molecular Weight: | 183.21 |
| Synonyms: | Carbazol-2-ol(6CI,7CI,8CI);2-Hydroxy-9H-carbazole;2-Hydroxycarbazole; |
| EINECS: | 201-699-7 |
| Density: | 1.362 g/cm3 |
| Melting Point: | 270-273 °C (lit. ) |
| Boiling Point: | 431.4 °C at 760 mmHg |
| Flash Point: | 214.7 °C |
| Appearance: | beige to light brown crystalline powder |
| Hazard Symbols: |
 Xi,  C,  F,  T
|
| Risk Codes: | 36/37/38-34 |
| Safety: | 26-36-37/39-45-36/37/39-27 |
| PSA: | 36.02000 |
| LogP: | 3.02670 |
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Specification
The 9H-Carbazol-2-ol, with the CAS registry number of 86-79-3, is also known as 2-Hydroxy-9H-carbazole and 2-Hydroxycarbazole. It belongs to the product categories of Intermediates of Dyes and Pigments; Nitrogen Cyclic Compounds. Its EINECS registry number is 201-699-7. This chemical's molecular formula is C12H9NO and molecular weight is 183.21. This chemical's classification code is Drug/Therapeutic Agent.
Physical properties about 9H-Carbazol-2-ol are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 109.04; (6)ACD/BCF (pH 7.4): 108.97; (7)ACD/KOC (pH 5.5): 1000.27; (8)ACD/KOC (pH 7.4): 999.64; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 14.16 Å2; (13)Index of Refraction: 1.815; (14)Molar Refractivity: 58.25 cm3; (15)Molar Volume: 134.4 cm3; (16)Polarizability: 23.09×10-24 cm3; (17)Surface Tension: 70.5 dyne/cm; (18)Density: 1.362 g/cm3; (19)Flash Point: 214.7 °C; (20)Enthalpy of Vaporization: 71.35 kJ/mol; (21)Boiling Point: 431.4 °C at 760 mmHg; (22)Melting Point: 270-273 °C (lit. ); (23)Vapour Pressure: 4.78E-08 mmHg at 25°C.
Preparation: this chemical is prepared by 2, 2-Dimethyl-5-(2-methylindol-3-ylmethylene)-1, 3-dioxane-4, 6-dione. The reaction temperature is 600 °C and pressure is 0.001-0.01 MPa. The yield is about 40%.
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Uses: it can react with 1-Bromo-octane to give 2-Octyloxycarbazole by heating with 7 hours. This reaction will need reagent Na and solvent Methanol. And the yield is about 73%.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, it is toxic and corrosive. Besides, this chemical is highly flammable, it may catch fire in contact with an ignition source.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc3ccc2c1ccccc1nc2c3
(2) InChI: InChI=1/C12H9NO/c14-8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h1-7,13-14H
(3) InChIKey: GWPGDZPXOZATKL-UHFFFAOYAN
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | oral | > 400mg/kg (400mg/kg) | Journal of Antibiotics. Vol. 46, Pg. 1859, 1993. |