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| CAS No.: | 91914-06-6 |
|---|---|
| Name: | 2-HYDROXY-5-METHYLPYRIDINE |
| Article Data: | 19 |
| Molecular Structure: | |
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|
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| Formula: | C6H7NO |
| Molecular Weight: | 109.128 |
| Synonyms: | 5-methylpyridin-2(1H)-one;2(1H)-pyridinone, 5-methyl-;5-Methylpyridin-2(1H)-one;5-methylpyridin-2-ol; |
| EINECS: | 213-713-9 |
| Density: | 1.053 g/cm3 |
| Melting Point: | 183-187 °C(lit.) |
| Boiling Point: | 304.2 °C at 760 mmHg |
| Flash Point: | 170.6 °C |
| Appearance: | light yellow crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-36 |
| PSA: | 33.12000 |
| LogP: | 1.09560 |
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Specification
The 2-Pyridinol, 5-methyl-, with the CAS registry number 91914-06-6, has the systematic name of 5-methylpyridin-2(1H)-one. It is a kind of light yellow crystalline powder, and belongs to the category of intermediate of pirdenidone. And the molecular formula of the chemical is C6H7NO.
The characteristics of 2-Pyridinol, 5-methyl- are as followings: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.13; (8)ACD/KOC (pH 7.4): 24.13; (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: 1.499; (14)Molar Refractivity: 30.44 cm3; (15)Molar Volume: 103.5 cm3; (16)Polarizability: 12.07×10-24cm3; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 1.053 g/cm3; (19)Flash Point: 170.6 °C; (20)Enthalpy of Vaporization: 54.45 kJ/mol; (21)Boiling Point: 304.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000888 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to respiratory system and skin, and may cause serious damage to eyes. It is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1/C=C\C(=C/N1)C
(2)InChI: InChI=1/C6H7NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)
(3)InChIKey: SOHMZGMHXUQHGE-UHFFFAOYAS