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| CAS No.: | 54989-33-2 |
|---|---|
| Name: | 4-HYDROXYCARBAZOLE |
| Molecular Structure: | |
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| Formula: | C12H9NO |
| Molecular Weight: | 183.21 |
| Synonyms: | 4-Hydroxy carbazole;9H-Carbazol-4-ol; |
| EINECS: | 258-034-9 |
| Density: | 1.362 g/cm3 |
| Melting Point: | 169-173 °C(lit.) |
| Boiling Point: | 431.4 °C at 760 mmHg |
| Flash Point: | 214.7 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 36.02000 |
| LogP: | 3.02670 |
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Specification
The Carbazol-4-ol, with the CAS registry number of 54989-33-2, is also known as 4-(Pyridin-3-yl)benzaldehyde. It belongs to the product category of Chemical intermediate for Carvedilol. Its EINECS registry number is 258-034-9. Its molecular formula is C12H9NO and molecular weight is 183.21. What's more, its systematic name is 9H-Carbazol-4-ol.
Physical properties about the Carbazol-4-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): 108.95; (7)ACD/KOC (pH 5.5): 1000.26; (8)ACD/KOC (pH 7.4): 999.48; (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)Surface Tension: 70.5 dyne/cm; (17)Density: 1.362 g/cm3; (18)Flash Point: 214.7 °C; (19)Enthalpy of Vaporization: 71.35 kJ/mol; (20)Boiling Point: 431.4 °C at 760 mmHg; (21)Vapour Pressure: 4.78E-08 mmHg at 25 °C.
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. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc3cccc2c3c1c(cccc1)n2
(2) InChI: InChI=1/C12H9NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-7,13-14H
(3) InChIKey: UEOHATPGKDSULR-UHFFFAOYAH