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CAS No.: | 518314-64-2 |
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Name: | (2-Chloro-5-methylpyridin-3-yl)methanol |
Molecular Structure: | |
Formula: | C7H8ClNO |
Molecular Weight: | 157.5975 |
Synonyms: | 2-Chloro-5-methylpyridine-3-methanol; |
Density: | 1.263 g/cm3 |
Boiling Point: | 295.5 °C at 760 mmHg |
Flash Point: | 132.5 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-41 |
Safety: | 26-39 |
PSA: | 33.12000 |
LogP: | 1.53570 |
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The 3-Pyridinemethanol,2-chloro-5-methyl-, with the CAS registry number 518314-64-2, is also known as 2-Chloro-5-methylpyridine-3-methanol. This chemical's molecular formula is C7H8ClNO and molecular weight is 157.5975. What's more, its systematic name is called (2-Chloro-5-methylpyridin-3-yl)methanol.
Physical properties about 3-Pyridinemethanol,2-chloro-5-methyl- are: (1)ACD/LogP: 0.67; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.91; (6)ACD/BCF (pH 7.4): 1.91; (7)ACD/KOC (pH 5.5): 55.39; (8)ACD/KOC (pH 7.4): 55.39; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 40.51 cm3; (15)Molar Volume: 124.6 cm3; (16)Polarizability: 16.06×10-24 cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.263 g/cm3; (19)Flash Point: 132.5 °C; (20)Enthalpy of Vaporization: 56.52 kJ/mol; (21)Boiling Point: 295.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000688 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc1cc(C)cnc1Cl
(2) InChI: InChI=1/C7H8ClNO/c1-5-2-6(4-10)7(8)9-3-5/h2-3,10H,4H2,1H3
(3) InChIKey: ZKCWUUTWVUVPKI-UHFFFAOYAO