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| CAS No.: | 16297-06-6 |
|---|---|
| Name: | 2,3,5,6-TETRACHLOROISONICOTINONITRILE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C6Cl4N2 |
| Molecular Weight: | 241.891 |
| Synonyms: | Pyridine-4-carbonitrile, 2, 3, 5, 6-tetrachloro-; |
| Density: | 1.75 g/cm3 |
| Melting Point: | 139-141 °C |
| Boiling Point: | 298.3 °C at 760 mmHg |
| Flash Point: | 134.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xn:Harmful; ">  Xn:Harmful; |
| PSA: | 36.68000 |
| LogP: | 3.56688 |
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- Total:9 Page 1 of 1 1
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Specification
The 2, 3, 5, 6-Tetrachloroisonicotinonitrile, with the CAS registry number 16297-06-6, is also known as Pyridine-4-carbonitrile, 2, 3, 5, 6-tetrachloro-. It belongs to the product category of Pyridines. This chemical's molecular formula is C6Cl4N2 and molecular weight is 241.89. What's more, its IUPAC name is 2, 3, 5, 6-Tetrachloropyridine-4-carbonitrile. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2, 3, 5, 6-Tetrachloroisonicotinonitrile are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 157.96; (6)ACD/BCF (pH 7.4): 157.96; (7)ACD/KOC (pH 5.5): 1304.18; (8)ACD/KOC (pH 7.4): 1304.18; (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: 1.62; (14)Molar Refractivity: 48.42 cm3; (15)Molar Volume: 137.7 cm3; (16)Polarizability: 19.19×10-24 cm3; (17)Surface Tension: 69.1 dyne/cm; (18)Density: 1.75 g/cm3; (19)Flash Point: 134.2 °C; (20)Enthalpy of Vaporization: 53.82 kJ/mol; (21)Boiling Point: 298.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00128 mmHg at 25 °C.
Uses of 2, 3, 5, 6-Tetrachloroisonicotinonitrile: it is used to produce other chemicals. For example, it is used to produce Trichloro-4-cyano-6-(N-ethylanilino)pyridine by heating. The reaction needs reagent N-ethyl-aniline. The reaction time is 24 hours. The yield is about 35 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(C#N)c(Cl)c(Cl)nc1Cl
(2) InChI: InChI=1/C6Cl4N2/c7-3-2(1-11)4(8)6(10)12-5(3)9
(3) InChIKey: WQGYOIRZZWUJJU-UHFFFAOYAI