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CAS No.: | 2546-52-3 |
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Name: | 3-Fluoro-4-bromopyridine hydrochloride |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C5H4BrClFN |
Molecular Weight: | 175.988 |
Synonyms: | 4-Bromo-3-fluoropyridine;4-bromo-3-fluoropyridine;Pyridine, 4-bromo-3-fluoro-; |
EINECS: | 678-655-2 |
Density: | 1.707g/cm3 |
Boiling Point: | 169.2°C at 760 mmHg |
Flash Point: | 56.1°C |
Appearance: | light yellow liquid |
PSA: | 12.89000 |
LogP: | 2.78520 |
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The 3-Fluoro-4-bromopyridine, with the CAS registry number 2546-52-3, has the systematic name of 4-bromo-3-fluoropyridine. It belongs to the product category of Pyridines. And the molecular formula of this chemical is C5H4BrClFN.
The physical properties of 3-Fluoro-4-bromopyridine are as following: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 8.05; (6)ACD/BCF (pH 7.4): 8.05; (7)ACD/KOC (pH 5.5): 154.92; (8)ACD/KOC (pH 7.4): 154.93; (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: 56.1 °C; (20)Enthalpy of Vaporization: 38.89 kJ/mol; (21)Boiling Point: 169.2 °C at 760 mmHg; (22)Vapour Pressure: 2.07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccncc1F
(2)InChI: InChI=1/C5H3BrFN/c6-4-1-2-8-3-5(4)7/h1-3H
(3)InChIKey: QBLOMVIUENUOJY-UHFFFAOYAQ