CAS No.116922-60-2,3-BROMO-4-FLUOROPYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	116922-60-2
Name:	3-BROMO-4-FLUOROPYRIDINE
Article Data:	3

Formula:	C₅H₃BrFN
Molecular Weight:	175.988
Synonyms:	Pyridine,3-bromo-4-fluoro;3-bromanyl-4-fluoranyl-pyridine;4-Fluoro-3-bromopyridine;
Density:	1.707 g/cm³
Boiling Point:	168.8 °C at 760 mmHg
Flash Point:	55.9 °C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-39
PSA:	12.89000
LogP:	1.98320

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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