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CAS No.: | 65176-93-4 |
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Name: | 2-CHLORO-5,6-DIMETHYL-3-PYRIDINCARBONITRILE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H7ClN2 |
Molecular Weight: | 166.61 |
Synonyms: | 2-Chloro-3-cyano-5,6-dimethylpyridine;2-Chloro-5,6-dimethyl-3-pyridinecarbonitrile; |
Density: | 1.222 g/cm3 |
Melting Point: | 100-102 °C |
Boiling Point: | 315.4 °C at 760 mmHg |
Flash Point: | 144.549 °C |
PSA: | 36.68000 |
LogP: | 2.22348 |
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The 2-Chloro-5,6-dimethyl-3-pyridinecarbonitrile, with the CAS registry number 65176-93-4, is also known as 2-Chloro-3-cyano-5,6-dimethylpyridine. It belongs to the product categories of Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C8H7ClN2 and molecular weight is 166.61. What's more, its systematic name is 2-Chloro-5,6-dimethylnicotinonitrile.
Physical properties of 2-Chloro-5,6-dimethyl-3-pyridinecarbonitrile are: (1)ACD/LogP: 2.126; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.32; (6)ACD/BCF (pH 7.4): 24.32; (7)ACD/KOC (pH 5.5): 341.74; (8)ACD/KOC (pH 7.4): 341.74; (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: 1.546; (14)Molar Refractivity: 43.192 cm3; (15)Molar Volume: 136.294 cm3; (16)Polarizability: 17.123×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.222 g/cm3; (19)Flash Point: 144.549 °C; (20)Enthalpy of Vaporization: 55.664 kJ/mol; (21)Boiling Point: 315.4 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Uses of 2-Chloro-5,6-dimethyl-3-pyridinecarbonitrile: it can be used to produce 2-chloro-5,6-dimethyl-nicotinamide at the temperature of 100 - 110°C. It will need reagent conc. H2SO4 with the reaction time of 2 hours. The yield is about 68%.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(C)c(C)nc1Cl
(2)Std. InChI: InChI=1S/C8H7ClN2/c1-5-3-7(4-10)8(9)11-6(5)2/h3H,1-2H3
(3)Std. InChIKey: BYVPJDZJIHOUHA-UHFFFAOYSA-N