2-chloro 3,5-dimethyl pyarazine

The Pyrazine,2-chloro-3,5-dimethyl-, with CAS registry number 38557-72-1, belongs to the following product categories: (1)Halides; (2)Pyrazines, Pyrimidines & Pyridazines. It has the systematic name of 2-chloro-3,5-dimethylpyrazine. And the chemical formula of this chemical is C₆H₇ClN₂.

Physical properties of Pyrazine,2-chloro-3,5-dimethyl-: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 138; (8)ACD/KOC (pH 7.4): 138; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 36.98 cm³; (15)Molar Volume: 120.382 cm³; (16)Polarizability: 14.66×10^-24cm³; (17)Surface Tension: 42.147 dyne/cm; (18)Density: 1.184 g/cm³; (19)Flash Point: 83.142 °C; (20)Enthalpy of Vaporization: 40.549 kJ/mol; (21)Boiling Point: 186.588 °C at 760 mmHg; (22)Vapour Pressure: 0.904 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,6-dimethyl-pyrazine 4-oxide. This reaction will need reagent POCl₃. The reaction time is 6 hour(s). The yield is about 43%.

Uses of Pyrazine,2-chloro-3,5-dimethyl-: it can be used to produce 3-chloro-2,6-dimethylpyrazine 1-oξde. This reaction will need reagents 90% H₂O₂, maleic anhydride and solvent CH₂Cl₂. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cnc(c(n1)C)Cl
(2)InChI: InChI=1/C6H7ClN2/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3
(3)InChIKey: BTGGHNHGPURMEO-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H7ClN2/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3
(5)Std. InChIKey: BTGGHNHGPURMEO-UHFFFAOYSA-N