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| CAS No.: | 52208-50-1 |
|---|---|
| Name: | 2,6-Dichloro-3-fluoropyridine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C5H2Cl2FN |
| Molecular Weight: | 165.982 |
| Synonyms: | 2,6-Dichloro-3-fluoropyridine;pyridine, 2,6-dichloro-3-fluoro-; |
| Density: | 1.498g/cm3 |
| Melting Point: | 44-46 °C |
| Boiling Point: | 196.034 °C at 760 mmHg |
| Flash Point: | 72.359 °C |
| Appearance: | White solid |
| PSA: | 12.89000 |
| LogP: | 2.52750 |
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Specification
The 2,6-Dichloro-3-fluoropyridine, with the CAS registry number 52208-50-1, is also called pyridine, 2,6-dichloro-3-fluoro-. And the molecular formula of the chemical is C5H2Cl2FN.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 27; (6)ACD/BCF (pH 7.4): 27; (7)ACD/KOC (pH 5.5): 366; (8)ACD/KOC (pH 7.4): 366; (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: 1.528; (14)Molar Refractivity: 34.128 cm3; (15)Molar Volume: 110.768 cm3; (16)Polarizability: 13.529×10-24cm3; (17)Surface Tension: 40.995 dyne/cm; (18)Density: 1.498 g/cm3; (19)Flash Point: 72.359 °C; (20)Enthalpy of Vaporization: 41.455 kJ/mol; (21)Boiling Point: 196.034 °C at 760 mmHg; (22)Vapour Pressure: 0.571 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(F)c(Cl)n1
(2)InChI: InChI=1/C5H2Cl2FN/c6-4-2-1-3(8)5(7)9-4/h1-2H
(3)InChIKey: YAXSIJLRAOURJK-UHFFFAOYAR