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116922-60-2

Basic Information
CAS No.: 116922-60-2
Name: Pyridine,3-bromo-4-fluoro-
Article Data: 3
Cas Database
Molecular Structure:
Molecular Structure of 116922-60-2 (Pyridine,3-bromo-4-fluoro-)
Formula: C5H3BrFN
Molecular Weight: 175.988
Synonyms: Pyridine,3-bromo-4-fluoro;3-bromanyl-4-fluoranyl-pyridine;4-Fluoro-3-bromopyridine;
EINECS: N/A
Density: 1.707 g/cm3
Melting Point: N/A
Boiling Point: 168.8 °C at 760 mmHg
Flash Point: 55.9 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: Xn
Risk Codes: 22-36/37/38
Safety: 26-39
Transport Information: N/A
PSA: 12.89000
LogP: 1.98320
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  • 3-Bromo-4-fluoropyridine

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  • 3-BROMO-4-FLUOROPYRIDINE

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  • 3-Bromo-4-fluoropyridine

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    116922-60-2

    3-Bromo-4-fluoropyridine

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Specification

The 3-Bromo-4-fluoropyridine, with the CAS registry number 116922-60-2, is also called pyridine, 3-bromo-4-fluoro-. It belongs to the product category of Pyridines. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C5H3BrFN.

The physical properties of 3-Bromo-4-fluoropyridine are as following: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 11.86; (6)ACD/BCF (pH 7.4): 11.86; (7)ACD/KOC (pH 5.5): 204.32; (8)ACD/KOC (pH 7.4): 204.36; (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: 55.9 °C; (20)Enthalpy of Vaporization: 38.86 kJ/mol; (21)Boiling Point: 168.8 °C at 760 mmHg; (22)Vapour Pressure: 2.1 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccncc1Br
(2)InChI: InChI=1/C5H3BrFN/c6-4-3-8-2-1-5(4)7/h1-3H
(3)InChIKey: PKYADCLPLQPPKK-UHFFFAOYAE