6H-Purin-6-one,2-chloro-1,7-dihydro-7-methyl- supplier

Name
2-CHLORO-6-HYDROXY-7-METHYLPURINE
EINECS
CAS No. 16017-76-8
Article Data3
CAS DataBase
Density 1.79 g/cm³
Solubility
Melting Point
Formula C₆H₅ClN₄O
Boiling Point 456.2 °C at 760 mmHg
Molecular Weight 184.585
Flash Point 229.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hypoxanthine,2-chloro-7-methyl- (8CI);2-Chloro-7-methylhypoxanthine;NSC 7860;2-Chloro-6-Hydroxy-7-Methylpurine;
PSA 63.83000
LogP 0.72230

6H-Purin-6-one,2-chloro-1,7-dihydro-7-methyl- Specification

The 6H-Purin-6-one,2-chloro-1,7-dihydro-7-methyl- is an organic compound with the formula C₆H₅ClN₄O. The IUPAC name of this chemical is 2-Chloro-7-methyl-3H-purin-6-one. With the CAS registry number 16017-76-8, it is also named as 7H-Purin-6-ol, 2-chloro-7-methyl-. Besides, its molecular weight is 184.5831.

Physical properties about 6H-Purin-6-one,2-chloro-1,7-dihydro-7-methyl- are: (1)ACD/LogP: -0.71; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 9.8; (5)ACD/KOC (pH 7.4): 8.19; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)Polar Surface Area: 50.49 Å²; (9)Index of Refraction: 1.789; (10)Molar Refractivity: 43.47 cm³; (11)Molar Volume: 102.7 cm³; (12)Polarizability: 17.23×10^-24 cm³; (13)Surface Tension: 69.7 dyne/cm; (14)Density: 1.79 g/cm³; (15)Flash Point: 229.7 °C; (16)Enthalpy of Vaporization: 71.61 kJ/mol; (17)Boiling Point: 456.2 °C at 760 mmHg; (18)Vapour Pressure: 1.65E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H5ClN4O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H,9,10,12)
(2)InChIKey: HTRDGUDBXFNIOU-UHFFFAOYAY
(3)Std. InChI: InChI=1S/C6H5ClN4O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H,9,10,12)
(4)Std. InChIKey: HTRDGUDBXFNIOU-UHFFFAOYSA-N

Product Name

2-CHLORO-6-HYDROXY-7-METHYLPURINE

6H-Purin-6-one,2-chloro-1,7-dihydro-7-methyl- Specification

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