PYRIDINE, 2-CHLORO-5-(1-METHYLETHENYL)-

The Pyridine, 2-chloro-5-(1-methylethenyl)-, with the CAS registry number 68700-92-5, is also known as 2-Chloro-5-(1-methylethenyl) pyridine. This chemical's molecular formula is C₈H₈ClN and molecular weight is 153.61. What's more, its systematic name is 2-Chloro-5-(prop-1-en-2-yl)pyridine.

Physical properties about Pyridine, 2-chloro-5-(1-methylethenyl)- are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 57; (6)ACD/BCF (pH 7.4): 57; (7)ACD/KOC (pH 5.5): 627; (8)ACD/KOC (pH 7.4): 627; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 43.438 cm³; (15)Molar Volume: 140.42 cm³; (16)Polarizability: 17.22×10^-24 cm³; (17)Surface Tension: 35.344 dyne/cm; (18)Density: 1.094 g/cm³; (19)Flash Point: 110.789 °C; (20)Enthalpy of Vaporization: 44.193 kJ/mol; (21)Boiling Point: 224.178 °C at 760 mmHg; (22)Vapour Pressure: 0.138 mmHg at 25 °C.

Preparation of Pyridine, 2-chloro-5-(1-methylethenyl)-: this chemical is prepared by 2-Chloro-5-(1-hydroxy-1-methylethyl)pyridine by heating. This reaction needs reagents p-Toluenesulfonic acid monohydrate and Hydroquinone. Meanwhile, it needs solvent Xylene. The reaction time is 4.5 hours. The yield is about 91 %.

Uses of Pyridine, 2-chloro-5-(1-methylethenyl)-: it is used to produce other chemicals. For example, it is used to produce 2-Chloro-5-(1-methylethyl)pyridine. This reaction needs reagent H₂, catalyst PtO₂ and solvent Ethanol. The reaction time is 1.75 hours. The yield is about 86 %.

You can still convert the following datas into molecular structure:
(1) SMILES: C=C(C)c1cnc(Cl)cc1
(2) InChI: InChI=1/C8H8ClN/c1-6(2)7-3-4-8(9)10-5-7/h3-5H,1H2,2H3
(3) InChIKey: QZBFXTKTUZYMRW-UHFFFAOYAP