2-(Chloromethyl)-5-methylpyrazine

This chemical is called 2-(Chloromethyl)-5-methylpyrazine. With the molecular formula of C₆H₇ClN₂, its molecular weight is 142.5862. The CAS registry number of this chemical is 81831-68-7.

Other characteristics of the 2-(Chloromethyl)-5-methylpyrazine can be summarised as followings: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42; (8)ACD/KOC (pH 7.4): 42; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 37.026 cm³; (15)Molar Volume: 119.851 cm³; (16)Polarizability: 14.678×10^-24cm³; (17)Surface Tension: 43.88 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 102.535 °C; (20)Enthalpy of Vaporization: 43.08 kJ/mol; (21)Boiling Point: 212.8 °C at 760 mmHg; (22)Vapour Pressure: 0.247 mmHg at 25°C.

Production method of 2-(Chloromethyl)-5-methylpyrazine: It could be obtained by the reactant of 2,5-dimethyl-pyrazine. This reaction needs the reagents of NCS, benzoyl peroxide, and the solvent of CCl₄. The yield is 80 %. The other condition is heating.

Uses of 2-(Chloromethyl)-5-methylpyrazine: It could react with trimethylamine to obtain the Trimethyl[(5-methyl-2-pyrazinyl)methyl]ammonium chloride. This reaction needs the solvents of ethyl acetate and nitromethane. The yield is 72 %.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1cnc(CCl)cn1
2.InChI: InChI=1/C6H7ClN2/c1-5-3-9-6(2-7)4-8-5/h3-4H,2H2,1H3
3.InChIKey: DDGKEWIOOGLGAK-UHFFFAOYAC