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CAS No.: | 36178-05-9 |
---|---|
Name: | 3-Bromo-2-fluoropyridine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C5H3BrFN |
Molecular Weight: | 175.988 |
Synonyms: | 2-Fluoro-3-bromopyridine; |
EINECS: | 672-944-7 |
Density: | 1.707 g/cm3 |
Boiling Point: | 179.6 °C at 760 mmHg |
Flash Point: | 62.4 °C |
Appearance: | Light yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 12.89000 |
LogP: | 1.98320 |
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The 3-Bromo-2-fluoropyridine is an organic compound with the formula C5H3BrFN. The IUPAC name of this chemical is 3-bromo-2-fluoropyridine. With the CAS registry number 36178-05-9, it is also named as Pyridine, 3-bromo-2-fluoro-. The product's categories are Fluorin-contained Pyridine Series; Blocks; Bromides; FluoroCompounds; Pyridines; Pyridine; Pyridine Series; Halides; Variety of Halogenated Heterocyclic Series. Besides, it is a light yellow liquid, which should be stored in a closed cool and dry place.
Physical properties about 3-Bromo-2-fluoropyridine are: (1)ACD/LogP: 1.78; (2)ACD/LogD (pH 5.5): 1.78; (3)ACD/LogD (pH 7.4): 1.78; (4)ACD/BCF (pH 5.5): 13.17; (5)ACD/BCF (pH 7.4): 13.17; (6)ACD/KOC (pH 5.5): 220.31; (7)ACD/KOC (pH 7.4): 220.31; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89 Å2; (10)Index of Refraction: 1.533; (11)Molar Refractivity: 32.02 cm3; (12)Molar Volume: 103 cm3; (13)Polarizability: 12.69×10-24cm3; (14)Surface Tension: 39.9 dyne/cm; (15)Density: 1.707 g/cm3; (16)Flash Point: 62.4 °C; (17)Enthalpy of Vaporization: 39.89 kJ/mol; (18)Boiling Point: 179.6 °C at 760 mmHg; (19)Vapour Pressure: 1.26 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccnc1F
(2)InChI: InChI=1/C5H3BrFN/c6-4-2-1-3-8-5(4)7/h1-3H
(3)InChIKey: KESUTBOSNOHAMK-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C5H3BrFN/c6-4-2-1-3-8-5(4)7/h1-3H
(5)Std. InChIKey: KESUTBOSNOHAMK-UHFFFAOYSA-N