-
Name
6-CHLORO-9-METHYLPURINE
- EINECS
- CAS No. 2346-74-9
- Article Data31
- CAS DataBase
- Density 1.59 g/cm3
- Solubility
- Melting Point 129-134 °C
- Formula C6H5ClN4
- Boiling Point 321.7 °C at 760 mmHg
- Molecular Weight 168.585
- Flash Point 148.4 °C
- Transport Information
- Appearance pale yellow solid
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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
- PSA 43.60000
- LogP 1.01670
9H-Purine,6-chloro-9-methyl- Specification
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.
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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
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