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| CAS No.: | 20173-49-3 |
|---|---|
| Name: | PYRIDINE, 2-CHLORO-5-METHYL-, 1-OXIDE |
| Molecular Structure: | |
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| Formula: | C6H6ClNO |
| Molecular Weight: | 143.573 |
| Synonyms: | 3-Picoline,6-chloro-, 1-oxide (8CI);2-Chloro-5-methylpyridine 1-oxide;2-Chloro-5-methylpyridine N-oxide;6-Chloro-3-picoline 1-oxide; |
| Density: | 1.229 g/cm3 |
| Boiling Point: | 320.166 °C at 760 mmHg |
| Flash Point: | 147.431 °C |
| PSA: | 25.46000 |
| LogP: | 2.07690 |
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Specification
The Pyridine, 2-chloro-5-methyl-, 1-oxide, with the CAS registry number 20173-49-3, is also known as 2-Chloro-5-methylpyridine N-oxide. This chemical's molecular formula is C6H6ClNO and molecular weight is 143.57. What's more, its systematic name is 2-Chloro-5-methylpyridine 1-oxide.
Physical properties about Pyridine, 2-chloro-5-methyl-, 1-oxide are: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 20; (6)ACD/KOC (pH 7.4): 20; (7)#H bond acceptors: 2; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 25.46 Å2; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 36.867 cm3; (13)Molar Volume: 116.861 cm3; (14)Polarizability: 14.615×10-24 cm3; (15)Surface Tension: 39.153 dyne/cm; (16)Density: 1.229 g/cm3; (17)Flash Point: 147.431 °C; (18)Enthalpy of Vaporization: 53.946 kJ/mol; (19)Boiling Point: 320.166 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][n+]1cc(C)ccc1Cl
(2) InChI: InChI=1/C6H6ClNO/c1-5-2-3-6(7)8(9)4-5/h2-4H,1H3
(3) InChIKey: NYFBABAQZJZFED-UHFFFAOYAY