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| CAS No.: | 937379-49-2 |
|---|---|
| Name: | 6-Bromo-2-Fluoropyridine |
| Molecular Structure: | |
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| Formula: | C5H3BrFN |
| Molecular Weight: | 175.99 |
| Synonyms: | 2-Brom-6-fluorpyridin; |
| Density: | 1.708 g/cm3 |
| Boiling Point: | 200.2 °C at 760 mmHg |
| Flash Point: | 74.9 °C |
| PSA: | 12.89000 |
| LogP: | 1.98320 |
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- Total:37 Page 1 of 1 1
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Specification
The 6-Bromo-2-Fluoropyridine, with the CAS registry number 937379-49-2, has the systematic name of 2-bromo-6-fluoropyridine. It belongs to the product category of Fluorin-contained pyridine series. And molecular formula of the chemical is C5H3BrFN.
The characteristics of 6-Bromo-2-Fluoropyridine are as followings: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.26; (6)ACD/BCF (pH 7.4): 10.26; (7)ACD/KOC (pH 5.5): 184.21; (8)ACD/KOC (pH 7.4): 184.21; (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: 1.533; (14)Molar Refractivity: 32.02 cm3; (15)Molar Volume: 103 cm3; (16)Polarizability: 12.69×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.707 g/cm3; (19)Flash Point: 74.9 °C; (20)Enthalpy of Vaporization: 41.86 kJ/mol; (21)Boiling Point: 200.2 °C at 760 mmHg; (22)Vapour Pressure: 0.464 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(nc(c1)Br)F
(2)InChI: InChI=1/C5H3BrFN/c6-4-2-1-3-5(7)8-4/h1-3H
(3)InChIKey: ZIDIKYIZXMYHAW-UHFFFAOYAU