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827616-50-2

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Basic Information
CAS No.: 827616-50-2
Name: 3,5-DIIODOPYRIDINE-4-CARBONITRILE
Article Data: 2
Molecular Structure:
Molecular Structure of 827616-50-2 (3,5-DIIODOPYRIDINE-4-CARBONITRILE)
Formula: C6H2I2N2
Molecular Weight: 355.904
Synonyms: 4-Cyano-3, 5-diiodopyridine;
Density: 2.68 g/cm3
Boiling Point: 398.8 °C at 760 mmHg
Flash Point: 195 °C
PSA: 36.68000
LogP: 2.16248
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Specification

The 4-Pyridinecarbonitrile, 3, 5-diiodo-, with the CAS registry number 827616-50-2, is also known as 4-Cyano-3, 5-diiodopyridine. This chemical's molecular formula is C6H2I2N2 and molecular weight is 355.90242. What's more, its systematic name is 3, 5-Diiodopyridine-4-carbonitrile. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should avoid contacting with light and oxidant.

Physical properties about 4-Pyridinecarbonitrile, 3, 5-diiodo- are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (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: 1.769; (10)Molar Refractivity: 54.96 cm3; (11)Molar Volume: 132.3 cm3; (12)Polarizability: 21.78×10-24 cm3; (13)Surface Tension: 80.5 dyne/cm; (14)Density: 2.68 g/cm3; (15)Flash Point: 195 °C; (16)Enthalpy of Vaporization: 64.95 kJ/mol; (17)Boiling Point: 398.8 °C at 760 mmHg; (18)Vapour Pressure: 1.43E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1c(I)cncc1I
(2) InChI: InChI=1/C6H2I2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H
(3) InChIKey: CKTZXTXSOCLOBD-UHFFFAOYAR