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CAS No.: | 23000-43-3 |
---|---|
Name: | 4-CHLORO-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H5ClN4 |
Molecular Weight: | 168.585 |
Synonyms: | 4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine;NSC 1424; |
Density: | 1.59 g/cm3 |
Melting Point: | 102-104 °C |
Boiling Point: | 294.6 °C at 760 mmHg |
Flash Point: | 132 °C |
Appearance: | white solid. |
PSA: | 43.60000 |
LogP: | 1.01670 |
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The 1H-Pyrazolo[3,4-d]pyrimidine,4-chloro-1-methyl-, with the CAS registry number 23000-43-3, is also known as 4-Chloro-1-methylpyrazolo[3,4-d]pyrimidine. This chemical's molecular formula is C6H5ClN4 and molecular weight is 168.5837. Its systematic name is called 4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine.
Physical properties of 1H-Pyrazolo[3,4-d]pyrimidine,4-chloro-1-methyl-: (1)ACD/LogP: 0.16; (2)#H bond acceptors: 4; (3)Index of Refraction: 1.743; (4)Molar Refractivity: 42.62 cm3; (5)Molar Volume: 105.3 cm3; (6)Surface Tension: 58.2 dyne/cm; (7)Density: 1.59 g/cm3; (8)Flash Point: 132 °C; (9)Enthalpy of Vaporization: 51.29 kJ/mol; (10)Boiling Point: 294.6 °C at 760 mmHg; (11)Vapour Pressure: 0.00282 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncnc2c1cnn2C
(2)InChI: InChI=1/C6H5ClN4/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3
(3)InChIKey: AVFLNALVPBLGEV-UHFFFAOYAJ