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| CAS No.: | 169750-95-2 |
|---|---|
| Name: | 4-Chloro-5-fluoro-2-methylpyridine |
| Molecular Structure: | |
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| Formula: | C6H5ClFN |
| Molecular Weight: | 145.564 |
| Synonyms: | 4-Chloro-5-fluoro-2-picoline; |
| Density: | 1.264 g/cm3 |
| Boiling Point: | 156.7 °C at 760 mmHg |
| Flash Point: | 48.6 °C |
| PSA: | 12.89000 |
| LogP: | 2.18250 |
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Specification
This chemical is called 4-Chloro-5-fluoro-2-methylpyridine, and it can also be named as pyridine, 4-chloro-5-fluoro-2-methyl-. With the molecular formula of C6H5ClFN, its molecular weight is 145.56. The CAS registry number of this chemical is 169750-95-2, and its product category is Pyridine.
Other characteristics of the 4-Chloro-5-fluoro-2-methylpyridine can be summarised as followings: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.35; (6)ACD/BCF (pH 7.4): 13.35; (7)ACD/KOC (pH 5.5): 222.38; (8)ACD/KOC (pH 7.4): 222.47; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 34.05 cm3; (15)Molar Volume: 115 cm3; (16)Polarizability: 13.5×10-24cm3; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.264 g/cm3; (19)Flash Point: 48.6 °C; (20)Enthalpy of Vaporization: 37.72 kJ/mol; (21)Boiling Point: 156.7 °C at 760 mmHg; (22)Vapour Pressure: 3.68 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1cnc(C)cc1Cl
2.InChI: InChI=1/C6H5ClFN/c1-4-2-5(7)6(8)3-9-4/h2-3H,1H3
3.InChIKey: WFWCXLYGQBLSGP-UHFFFAOYAR