CAS No.791644-48-9,2-Chloro-5-fluoronicotinonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	791644-48-9
Name:	2-Chloro-5-fluoronicotinonitrile
Article Data:	33

Formula:	C₆H₂ClFN₂
Molecular Weight:	156.547
Synonyms:	2-Chloro-5-fluoronicotinonitrile;
Density:	1.43 g/cm³
Boiling Point:	235.2 °C at 760 mmHg
Flash Point:	96.1 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	36.68000
LogP:	1.74578

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Specification

The 2-Chloro-5-fluoropyridine-3-carbonitrile, with the CAS registry number 791644-48-9, is also known as 2-Chloro-5-fluoronicotinonitrile. This chemical's molecular formula is C₆H₂ClFN₂ and molecular weight is 156.5448832. What's more, its systematic name is called 2-Chloro-5-fluoropyridine-3-carbonitrile.

Physical properties about 2-Chloro-5-fluoropyridine-3-carbonitrile are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 2.81; (6)ACD/BCF (pH 7.4): 2.81; (7)ACD/KOC (pH 5.5): 72.84; (8)ACD/KOC (pH 7.4): 72.84; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 34.05 cm³; (15)Molar Volume: 109 cm³; (16)Surface Tension: 52.2 dyne/cm; (17)Density: 1.43 g/cm³; (18)Flash Point: 96.1 °C; (19)Enthalpy of Vaporization: 47.2 kJ/mol; (20)Boiling Point: 235.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0506 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cc(F)cnc1Cl
(2) InChI: InChI=1/C6H2ClFN2/c7-6-4(2-9)1-5(8)3-10-6/h1,3H
(3) InChIKey: SUBZTZVHVGYOPM-UHFFFAOYAF