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CAS No.: | 2346-74-9 |
---|---|
Name: | 6-CHLORO-9-METHYLPURINE |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C6H5ClN4 |
Molecular Weight: | 168.585 |
Synonyms: | OTAVA-BB BB7216640145;6-CHLORO-9-METHYL-9H-PURINE;6-CHLORO-9-METHYLPURINE;9-METHYL-6-CHLOROPURINE;AKOS BBS-00003131;IFLAB-BB F1371-0159;NSC 4948 |
Density: | 1.59 g/cm3 |
Melting Point: | 129-134 °C |
Boiling Point: | 321.7 °C at 760 mmHg |
Flash Point: | 148.4 °C |
Appearance: | pale yellow solid |
PSA: | 43.60000 |
LogP: | 1.01670 |
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The 9H-Purine,6-chloro-9-methyl-, with the CAS registry number 2346-74-9, is also known as 9-Methyl-6-chloropurine. It belongs to the product categories of Pharmacetical; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides. This chemical's molecular formula is C6H5ClN4 and molecular weight is 168.58. Its IUPAC name is called 6-chloro-9-methylpurine. This chemical is pale yellow solid which should be used as a useful synthetic intermediate.
Physical properties of 9H-Purine,6-chloro-9-methyl-: (1)ACD/LogP: 0.19; (2)ACD/LogD (pH 5.5): 0.19; (3)ACD/LogD (pH 7.4): 0.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.23; (7)ACD/KOC (pH 7.4): 30.24; (8)#H bond acceptors: 4; (9)Index of Refraction: 1.743; (10)Molar Refractivity: 42.62 cm3; (11)Molar Volume: 105.3 cm3; (12)Surface Tension: 58.2 dyne/cm; (13)Density: 1.59 g/cm3; (14)Flash Point: 148.4 °C; (15)Enthalpy of Vaporization: 56.35 kJ/mol; (16)Boiling Point: 321.7 °C at 760 mmHg; (17)Vapour Pressure: 0.000293 mmHg at 25°C.
Uses of 9H-Purine,6-chloro-9-methyl-: it can be used to produce 9-methyl-9H-purin-6-ylamine. This reaction will need reagent ethanol and NH3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C=NC2=C1N=CN=C2Cl
(2)InChI: InChI=1S/C6H5ClN4/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3
(3)InChIKey: UEZNSCCMEMUEMO-UHFFFAOYSA-N