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| CAS No.: | 884494-36-4 |
|---|---|
| Name: | 3-BROMO-2-CHLORO-5-FLUOROPYRIDINE |
| Molecular Structure: | |
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| Formula: | C5H2BrClFN |
| Molecular Weight: | 210.433 |
| Synonyms: | 3-BROMO-2-CHLORO-5-FLUOROPYRIDINE |
| Density: | 1.829 g/cm3 |
| Boiling Point: | 202.6 °C at 760 mmHg |
| Flash Point: | 76.3 °C |
| Appearance: | Light yellow powder |
| PSA: | 53.35000 |
| LogP: | -0.44610 |
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Specification
The IUPAC name of 3-Bromo-2-chloro-5-fluoropyridine is 3-bromo-2-chloro-5-fluoropyridine. With the CAS registry number 884494-36-4, it is also named as Pyridine,3-bromo-2-chloro-5-fluoro-. The product's categories are Blocks; Bromides; Fluoro Compounds; Pyridines. It is light yellow powder. In addition, its molecular formula is C5H2BrClFN and its molecular weight is 210.43.
The other characteristics of 3-Bromo-2-chloro-5-fluoropyridine can be summarized as: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.89 Å2; (9)Index of Refraction: 1.555; (10)Molar Refractivity: 36.92 cm3; (11)Molar Volume: 115 cm3; (12)Polarizability: 14.63×10-24cm3; (13)Surface Tension: 43.2 dyne/cm; (14)Density: 1.829 g/cm3; (15)Flash Point: 76.3 °C; (16)Enthalpy of Vaporization: 42.09 kJ/mol; (17)Boiling Point: 202.6 °C at 760 mmHg; (18)Vapour Pressure: 0.413 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1cnc(Cl)c(Br)c1
(2)InChI: InChI=1/C5H2BrClFN/c6-4-1-3(8)2-9-5(4)7/h1-2H
(3)InChIKey: NKUUDYHEWVWETB-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C5H2BrClFN/c6-4-1-3(8)2-9-5(4)7/h1-2H
(5)Std. InChIKey: NKUUDYHEWVWETB-UHFFFAOYSA-N