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| CAS No.: | 613-21-8 |
|---|---|
| Name: | 6-HYDROXY-2-METHYLQUINOLINE |
| Molecular Structure: | |
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| Formula: | C10H9NO |
| Molecular Weight: | 159.188 |
| Synonyms: | 2-Methyl-6-hydroxyquinoline;2-Methyl-6-quinolinol;6-Hydroxy-2-methylquinoline;6-Hydroxyquinaldine; |
| EINECS: | -0 |
| Density: | 1.21 g/cm3 |
| Melting Point: | 198℃ |
| Boiling Point: | 304.5 °C at 760 mmHg |
| Flash Point: | 142.3 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 33.12000 |
| LogP: | 2.24880 |
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Specification
This chemical is called 6-Quinolinol, 2-methyl-, and its systematic name is 2-methylquinolin-6-ol. With the molecular formula of C10H9NO, its molecular weight is 159.18. The CAS registry number of this chemical is 613-21-8. In addition, this chemical should be sealed in the cool and dry place.
Other characteristics of the 6-Quinolinol, 2-methyl- can be summarised as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 9.03; (6)ACD/BCF (pH 7.4): 28.26; (7)ACD/KOC (pH 5.5): 118.67; (8)ACD/KOC (pH 7.4): 371.56; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 48.89 cm3; (15)Molar Volume: 131.4 cm3; (16)Polarizability: 19.38×10-24cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 142.3 °C; (20)Enthalpy of Vaporization: 56.66 kJ/mol; (21)Boiling Point: 304.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000483 mmHg at 25°C.
Production method of this chemical: The 6-Quinolinol, 2-methyl- could be obtained by the reactant of 2-methyl-1-aza-spiro[4.5]deca-1,6,9-trien-8-one. This reaction needs the reagent of CF3SO3H, chloranil, and the solvent of nitrobenzene. The yield is 75 %. In addition, this reaction should be taken for 6 hours at the temperature of 120 °C.
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Uses of this chemical: The 6-Quinolinol, 2-methyl- could react with dimethylamine, and obtain the 2-Methyl-8-dimethylamino-5,6-chinolinchinon. This reaction needs the reagent of O2, and the solvent of methanol. The yield is 60 %. In addition, this reaction should be taken for 2 hours. The other condition is ice-cooling.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Oc1ccc2nc(ccc2c1)C
2.InChI: InChI=1/C10H9NO/c1-7-2-3-8-6-9(12)4-5-10(8)11-7/h2-6,12H,1H3
3.InChIKey: USSQQASIZNTRAJ-UHFFFAOYAI