4H-Pyrazolo[3,4-d]pyrimidin-4-one,1-(4-chlorophenyl)-1,5-dihydro- supplier

Name
1-(4-CHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-OL
EINECS
CAS No. 5334-29-2
Article Data6
CAS DataBase
Density 1.58g/cm³
Solubility
Melting Point >300 °C
Formula C₁₉H₂₃FN₂
Boiling Point 421.8 °C at 760 mmHg
Molecular Weight 246.656
Flash Point 208.9 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1H-Pyrazolo[3,4-d]pyrimidin-4-ol,1-(p-chlorophenyl)- (6CI,7CI,8CI);1-p-Chlorophenyl-4-hydroxypyrazolo[3,4-d]pyrimidine;NSC 1400;
PSA 63.57000
LogP 1.76220

4H-Pyrazolo[3,4-d]pyrimidin-4-one,1-(4-chlorophenyl)-1,5-dihydro- Specification

The 4H-Pyrazolo[3,4-d]pyrimidin-4-one,1-(4-chlorophenyl)-1,5-dihydro-, with CAS registry number 5334-29-2, has the systematic name of 1-(4-chlorophenyl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one. Besides this, it is also called 1-(4-Chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-ol. And the chemical formula of this chemical is C₁₉H₂₃FN₂.

Physical properties of 4H-Pyrazolo[3,4-d]pyrimidin-4-one,1-(4-chlorophenyl)-1,5-dihydro-: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 48.27 Å²; (7)Index of Refraction: 1.761; (8)Molar Refractivity: 64.16 cm³; (9)Molar Volume: 155.7 cm³; (10)Polarizability: 25.43×10^-24cm³; (11)Surface Tension: 65.2 dyne/cm; (12)Density: 1.58 g/cm³; (13)Flash Point: 208.9 °C; (14)Enthalpy of Vaporization: 67.59 kJ/mol; (15)Boiling Point: 421.8 °C at 760 mmHg; (16)Vapour Pressure: 2.53E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccc(N/2N\C=C1/C\2=N\C=N/C1=O)cc3
(2)InChI: InChI=1/C11H7ClN4O/c12-7-1-3-8(4-2-7)16-10-9(5-15-16)11(17)14-6-13-10/h1-6,15H
(3)InChIKey: YZWXEGWANXJLIE-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C11H7ClN4O/c12-7-1-3-8(4-2-7)16-10-9(5-15-16)11(17)14-6-13-10/h1-6,15H
(5)Std. InChIKey: YZWXEGWANXJLIE-UHFFFAOYSA-N

Product Name

1-(4-CHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-OL

4H-Pyrazolo[3,4-d]pyrimidin-4-one,1-(4-chlorophenyl)-1,5-dihydro- Specification

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