CAS No.114821-24-8,4-CYANO-2-IODOPYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	114821-24-8
Name:	4-CYANO-2-IODOPYRIDINE
Article Data:	3

Formula:	C₆H₃IN₂
Molecular Weight:	230.008
Synonyms:	Isonicotinonitrile,2-iodo- (6CI);2-Iodoisonicotinonitrile;
Density:	2.04 g/cm³
Melting Point:	80-82 °C
Boiling Point:	275.8 °C at 760 mmHg
Flash Point:	120.6 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:Harmful/Irritant/Keep "> Xi:Harmful/Irritant/Keep
Safety:	26-39
PSA:	36.68000
LogP:	1.55788

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Specification

The 4-Pyridinecarbonitrile,2-iodo-, with its CAS registry number 114821-24-8, has the systematic name of 2-iodopyridine-4-carbonitrile. Besides, this chemical has the molecular foumula of C₆H₃IN₂ and the molecular weight of 230.00. And it belongs to the product categories which include Blocks; Carboxes; Iodides; Pyridines. In addition, it is irritant which may cause inflammation to the skin or other mucous membranes.

The characteristics of 4-Pyridinecarbonitrile,2-iodo- are as follows: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.5; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 36.68 Å²; (9)Index of Refraction: 1.669; (10)Molar Refractivity: 42.04 cm³; (11)Molar Volume: 112.6 cm³; (12)Polarizability: 16.66×10^-24cm³; (13)Surface Tension: 67.2 dyne/cm; (14)Density: 2.04 g/cm³; (15)Flash Point: 120.6 °C; (16)Enthalpy of Vaporization: 51.42 kJ/mol; (17)Boiling Point: 275.8 °C at 760 mmHg; (18)Vapour Pressure: 0.005 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:c1cnc(cc1C#N)I
(2)InChI:InChI=1/C6H3IN2/c7-6-3-5(4-8)1-2-9-6/h1-3H
(3)InChIKey:RAMAPMJJBMFFEI-UHFFFAOYAQ
(4)Std. InChI:InChI=1S/C6H3IN2/c7-6-3-5(4-8)1-2-9-6/h1-3H
(5)Std. InChIKey:RAMAPMJJBMFFEI-UHFFFAOYSA-N