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Cas Database

Name	4-Chloro-1-methylpyrazolo[3,4-d]pyrimidine	EINECS	N/A
CAS No.	23000-43-3	Density	1.59 g/cm³
PSA	43.60000	LogP	1.01670
Solubility	N/A	Melting Point	102-104 °C
Formula	C₆H₅ClN₄	Boiling Point	294.6 °C at 760 mmHg
Molecular Weight	168.585	Flash Point	132 °C
Transport Information	N/A	Appearance	white solid.
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine;NSC 1424;	Article Data	7

4-Chloro-1-methylpyrazolo[3,4-d]pyrimidine Specification

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

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