CAS No.696-42-4,3-CYANO-5-FLUOROPYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	696-42-4
Name:	3-CYANO-5-FLUOROPYRIDINE
Article Data:	6

Formula:	C₆H₃FN₂
Molecular Weight:	122.102
Synonyms:	Nicotinonitrile,5-fluoro- (7CI,8CI);5-Fluoro-3-cyanopyridine;
Density:	1.514 g/cm³
Melting Point:	50-54℃
Boiling Point:	182.2 °C at 760 mmHg
Flash Point:	64 °C
Hazard Symbols:	Xi
PSA:	36.68000
LogP:	1.09238

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Specification

The CAS register number of 3-Pyridinecarbonitrile,5-fluoro- is 696-42-4. It also can be called as 3-Cyano-5-Fluoropyridine and the systematic name about this chemical is 5-fluoropyridine-3-carbonitrile. The molecular formula about this chemical is C₆H₃FN₂ and the molecular weight is 122.0998232. It belongs to the following product categories which include Blocks; Carboxes; Pyridines; Chiral Chemicals and so on.

Physical properties about 3-Pyridinecarbonitrile,5-fluoro- are: (1)ACD/LogP: 0.31; (2)ACD/LogD (pH 5.5): 0.3; (3)ACD/LogD (pH 7.4): 0.31; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.91; (7)ACD/KOC (pH 7.4): 34.91; (8)#H bond acceptors: 2; (9)Polar Surface Area: 36.68Å²; (10)Index of Refraction: 1.509; (11)Molar Refractivity: 29.23 cm³; (12)Molar Volume: 97.7 cm³; (13)Polarizability: 11.58x10^-24cm³; (14)Surface Tension: 46.9 dyne/cm; (15)Enthalpy of Vaporization: 41.84 kJ/mol; (16)Boiling Point: 182.2 °C at 760 mmHg; (17)Vapour Pressure: 0.821 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cncc(F)c1
(2)InChI: InChI=1/C6H3FN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H
(3)InChIKey: LQJWCPZRNHAVJD-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H3FN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H
(5)Std. InChIKey: LQJWCPZRNHAVJD-UHFFFAOYSA-N