6-CHLORO-7-METHYLPURINE

The 7H-Purine, 6-chloro-7-methyl-, with the CAS registry number 5440-17-5, is also known as 7-Methyl-6-chloropurine. It belongs to the product categories of Bases & Related Reagents; Nucleotides. This chemical's molecular formula is C₆H₅ClN₄ and molecular weight is 168.58. What's more, its IUPAC name is 6-Chloro-7-methylpurine. In addition, it must be stored in airtight containers and placed in a dry, cool place at room temperature. Meanwhile, it should avoid contact with light.

Physical properties about 7H-Purine, 6-chloro-7-methyl- are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.23; (8)ACD/KOC (pH 7.4): 30.24; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.6 Å²; (13)Index of Refraction: 1.743; (14)Molar Refractivity: 42.62 cm³; (15)Molar Volume: 105.3 cm³; (16)Polarizability: 16.89×10^-24 cm³; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.59 g/cm³; (19)Flash Point: 148.4 °C; (20)Enthalpy of Vaporization: 56.35 kJ/mol; (21)Boiling Point: 321.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000293 mmHg at 25 °C.

Preparation of 7H-Purine, 6-chloro-7-methyl-: this chemical is prepared by reaction of 6-Chloro-7(9)H-purine with Iodomethane. The reaction needs reagent NaH. The yield is about 66 %.

Uses of 7H-Purine, 6-chloro-7-methyl-: it is used to produce other chemicals. For example, it is used to produce 7-Methyl-6-(3-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-7H-purine by heating. The reaction needs solvent aq. Ethanol. The reaction time is 3 hours. The yield is about 83 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ncnc2ncn(c12)C
(2) InChI: InChI=1/C6H5ClN4/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2-3H,1H3
(3) InChIKey: NCZREVPKGQGLFM-UHFFFAOYAY