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| CAS No.: | 35680-24-1 |
|---|---|
| Name: | 2-chloro-6-methylpyridin-3-ol |
| Molecular Structure: | |
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| Formula: | C6H6ClNO |
| Molecular Weight: | 143.573 |
| Synonyms: | 2-Chloro-3-hydroxy-6-methylpyridine;2-Chloro-6-methylpyridin-3-ol; |
| EINECS: | 252-675-8 |
| Density: | 1.313 g/cm3 |
| Boiling Point: | 307.3 °C at 760 mmHg |
| Flash Point: | 139.7 °C |
| PSA: | 33.12000 |
| LogP: | 1.74900 |
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Specification
The 3-Pyridinol,2-chloro-6-methyl-, with the CAS registry number 35680-24-1, is also known as 2-Chloro-3-hydroxy-6-methylpyridine. It belongs to the product category of Pyridine. Its EINECS number is 252-675-8. This chemical's molecular formula is C6H6ClNO and molecular weight is 143.57. What's more, its IUPAC name is 2-chloro-6-methylpyridin-3-ol.
Physical properties of 3-Pyridinol,2-chloro-6-methyl- are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 11.94; (6)ACD/BCF (pH 7.4): 4.54; (7)ACD/KOC (pH 5.5): 204.07; (8)ACD/KOC (pH 7.4): 77.68; (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: 1.571; (14)Molar Refractivity: 35.94 cm3; (15)Molar Volume: 109.3 cm3; (16)Surface Tension: 49.4 dyne/cm; (17)Density: 1.313 g/cm3; (18)Flash Point: 139.7 °C; (19)Enthalpy of Vaporization: 56.98 kJ/mol; (20)Boiling Point: 307.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000403 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC(=C(C=C1)O)Cl
(2)InChI: InChI=1S/C6H6ClNO/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3
(3)InChIKey: LCVJZBIGDFXRLU-UHFFFAOYSA-N