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| CAS No.: | 607-67-0 |
|---|---|
| Name: | 4-Hydroxy-2-methylquinoline |
| Molecular Structure: | |
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| Formula: | C10H9NO |
| Molecular Weight: | 159.188 |
| Synonyms: | 2-Methyl-4-hydroxyquinoline;2-Methyl-4-quinolinol;4-Hydroxy-2-methylquinoline;4-Hydroxyquinaldine;NSC21483; |
| EINECS: | 210-140-6 |
| Density: | 1.136g/cm3 |
| Melting Point: | 234-236 °C(lit.) |
| Boiling Point: | 270.8 °C at 760 mmHg |
| Flash Point: | 120.1 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | BEIGE POWDER |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39-36/37/39-22 |
| PSA: | 33.12000 |
| LogP: | 2.24880 |
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Specification
The 4-Hydroxy-2-methylquinoline, with cas registry number 607-67-0, belongs to the following product categories: (1)Quinolines, Isoquinolines & Quinoxalines; (2)Quinolines; (3)Quinolines, Isoquinolines & Quinoxalines. It has the systematic name of 2-methylquinolin-4(1H)-one. Its IUPAC name is 2-methyl-1H-quinolin-4-one.
Physical properties about this chemical are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 130.79; (6)ACD/BCF (pH 7.4): 130.87; (7)ACD/KOC (pH 5.5): 1139.1; (8)ACD/KOC (pH 7.4): 1139.83; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 46.21 cm3; (15)Molar Volume: 140 cm3; (16)Polarizability: 18.32×10-24cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Enthalpy of Vaporization: 50.9 kJ/mol; (19)Vapour Pressure: 0.00669 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-Fluoro-2-methylquinoline. This reaction will need reagent H2O, CH3CO(18)OH/NaCl. The reaction time is 24 hour(s) with reaction temperature of 50 ℃. The yield is about 22%.
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Uses of 4-Hydroxy-2-methylquinoline: it can be used to produce acetic acid-(2-methyl-[4]quinolyl ester). This reaction will need reagent Et3N and solvent CH2Cl2. The reaction time is 2 hour(s) with reaction temperature of 0 ℃. The yield is about 61%.
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When you are using this chemical, please be cautious about it as the following:
The 4-Hydroxy-2-methylquinoline irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1c(cccc1)N/C(=C/2)C
(2)InChI: InChI=1/C10H9NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)
(3)InChIKey: NWINIEGDLHHNLH-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H9NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)
(5)Std. InChIKey: NWINIEGDLHHNLH-UHFFFAOYSA-N