CAS No.28489-28-3,4-FLUORO-3-PICOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	28489-28-3
Name:	4-FLUORO-3-PICOLINE

Formula:	C₆H₆FN
Molecular Weight:	111.119
Synonyms:	3-Picoline,4-fluoro- (8CI);4-Fluoro-3-methylpyridine;3-Methyl-4-fluoropyridine;
Density:	1.077 g/cm³
Boiling Point:	145.4 °C at 760 mmHg
Flash Point:	41.8 °C
PSA:	12.89000
LogP:	1.52910

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Specification

The IUPAC name of 4-Fluoro-3-methylpyridine is 4-Fluoro-3-methylpyridine. With the CAS registry number 28489-28-3, it is also named as 3-Methyl-4-fluoropyridine. The product's categories are Pyridine; Pyridines, Pyrimidines, Purines and Pteredines; Pyridines. In addition, its molecular formula is C₆H₆FN and its molecular weight is 111.12.

The other characteristics of 4-Fluoro-3-methylpyridine can be summarized as: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 4.76; (6)ACD/BCF (pH 7.4): 5.13; (7)ACD/KOC (pH 5.5): 104.04; (8)ACD/KOC (pH 7.4): 112.2; (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: 1.477; (14)Molar Refractivity: 29.16 cm³; (15)Molar Volume: 103.1 cm³; (16)Polarizability: 11.56×10^-24cm³; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.077 g/cm³; (19)Flash Point: 41.8 °C; (20)Enthalpy of Vaporization: 36.67 kJ/mol; (21)Boiling Point: 145.4 °C at 760 mmHg; (22)Vapour Pressure: 6.13 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Fc1ccncc1C
(2)InChI:InChI=1/C6H6FN/c1-5-4-8-3-2-6(5)7/h2-4H,1H3
(3)InChIKey:UHNUYEACFGAWEG-UHFFFAOYAW
(4)Std. InChI:InChI=1S/C6H6FN/c1-5-4-8-3-2-6(5)7/h2-4H,1H3
(5)Std. InChIKey:UHNUYEACFGAWEG-UHFFFAOYSA-N