Pyrimidine, 4-chloro-6-ethyl- (9CI)

The CAS register number of 4-Chloro-6-ethyl-pyrimidine is 141602-25-7. It also can be called as Pyrimidine, 4-chloro-6-ethyl- (9CI). The molecular formula about this chemical is C₆H₇ClN₂ and the molecular weight is 142.58618. It belongs to the following product category which includes Pyrimidine.

Physical properties about 4-Chloro-6-ethyl-pyrimidine are: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 8; (5)ACD/BCF (pH 7.4): 8; (6)ACD/KOC (pH 5.5): 149; (7)ACD/KOC (pH 7.4): 149; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 25.78 Å²; (11)Index of Refraction: 1.523; (12)Molar Refractivity: 36.88 cm³; (13)Molar Volume: 120.649 cm³; (14)Polarizability: 14.62x10^-24cm³; (15)Surface Tension: 42.492 dyne/cm; (16)Density: 1.182 g/cm³; (17)Flash Point: 98.939 °C; (18)Enthalpy of Vaporization: 42.602 kJ/mol; (19)Boiling Point: 207.886 °C at 760 mmHg; (20)Vapour Pressure: 0.317 mmHg at 25 °C.

Preparation: this chemical can be prepared by 6-ethyl-3H-pyrimidin-4-one. This reaction will need reagent of phosphorus oxychloride and solvent of CH₂Cl₂. This reaction needs heating. The reaction time is 3 hours. The yield is about 85%.

Uses of 4-Chloro-6-ethyl-pyrimidine: it can be used to produce 4-ethyl-pyrimidine. This reaction pressure is 2585.7. This reaction will need reagent of H₂, sodium acetate and solvents of ethanol, methanol. This reaction needs catalytic agent of 5percent Pd/C. The reaction time is 3 hours with reaction temperature of 50 °C. The yield is about 73%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncnc(c1)CC
(2)InChI: InChI=1/C6H7ClN2/c1-2-5-3-6(7)9-4-8-5/h3-4H,2H2,1H3
(3)InChIKey: MFZPGDQOHZBCRW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H7ClN2/c1-2-5-3-6(7)9-4-8-5/h3-4H,2H2,1H3
(5)Std. InChIKey: MFZPGDQOHZBCRW-UHFFFAOYSA-N