9H-Purine, 6-chloro-8-methyl- supplier

Name
6-CHLORO-8-METHYL-PURINE
EINECS
CAS No. 92001-52-0
Article Data8
CAS DataBase
Density 1.535 g/cm³
Solubility
Melting Point
Formula C₆H₅ClN₄
Boiling Point 415 °C at 760 mmHg
Molecular Weight 168.585
Flash Point 237.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Purine, 6-chloro-8-methyl- (9CI);Purine, 6-chloro-8-methyl- (6CI);NSC 22728;
PSA 54.46000
LogP 1.31470

9H-Purine, 6-chloro-8-methyl- Specification

The 9H-Purine, 6-chloro-8-methyl-, with the CAS registry number of 92001-52-0, is also known as 6-Chloro-8-methyl-purine. This chemical's molecular formula is C₆H₅ClN₄ and molecular weight is 168.583700. What's more, its IUPAC name is 6-Chloro-8-methyl-7H-purine.

Physical properties about 9H-Purine, 6-chloro-8-methyl- are: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 13.65; (6)ACD/KOC (pH 7.4): 11.86; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 43.6 Å²; (11)Index of Refraction: 1.702; (12)Molar Refractivity: 42.52 cm³; (13)Molar Volume: 109.7 cm³; (14)Polarizability: 16.85×10^-24 cm³; (15)Surface Tension: 78.4 dyne/cm; (16)Density: 1.535 g/cm³; (17)Flash Point: 237.2 °C; (18)Enthalpy of Vaporization: 64.2 kJ/mol; (19)Boiling Point: 415 °C at 760 mmHg; (20)Vapour Pressure: 1.03E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ncnc1nc(nc12)C
(2) InChI: InChI=1/C6H5ClN4/c1-3-10-4-5(7)8-2-9-6(4)11-3/h2H,1H3,(H,8,9,10,11)
(3) InChIKey: MZYQXIIORWCBHF-UHFFFAOYAT

Product Name

6-CHLORO-8-METHYL-PURINE

9H-Purine, 6-chloro-8-methyl- Specification

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