Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Oxipurinol |
EINECS | 219-570-9 |
CAS No. | 2465-59-0 | Density | 2.19 g/cm3 |
PSA | 94.92000 | LogP | -0.23590 |
Solubility | N/A | Melting Point |
300 °C |
Formula | C5H4N4O2 | Boiling Point | 662.9 °C at 760 mmHg |
Molecular Weight | 152.112 | Flash Point | 354.7 °C |
Transport Information | N/A | Appearance | Off White Solid |
Safety | 36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4H-Pyrazolo[3,4-d]pyrimidine-4,6(5H)-dione,1,7-dihydro- (6CI);1H,3H,9H-Alloxanthine;1H-Pyrazolo[3,4-d]pyrimidin-4,6-diol;4,6-Dihydroxypyrazolo[3,4-d]pyrimidine;4,6-Dioxopyrazolo[3,4-d]pyrimidine;Alloxanthine;BW 55-5;NSC 76239;Oxipurinol;Oxoallopurinol;Oxyprim;Oxypurinol; |
Article Data | 19 |
The 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione is an organic compound with the formula C5H4N4O2. The IUPAC name of this chemical is 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione. With the CAS registry number 2465-59-0, it is also named as Oxypurinol. The product's categories are Pyridines, Pyrimidines, Purines and Pteredines; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; Biochemicals and Reagents; Nucleoside Analogs; Nucleosides, Nucleotides, Oligonucleotides. Besides, it should be stored in a closed cool and dry place.
Physical properties about 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione are: (1)ACD/LogP: -1.20; (2)ACD/LogD (pH 5.5): -1.21; (3)ACD/LogD (pH 7.4): -1.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.2; (7)ACD/KOC (pH 7.4): 2.39; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)Polar Surface Area: 56.22 Å2; (11)Index of Refraction: 1.989; (12)Molar Refractivity: 34.4 cm3; (13)Molar Volume: 69.3 cm3; (14)Polarizability: 13.63×10-24cm3; (15)Surface Tension: 117.4 dyne/cm; (16)Density: 2.19 g/cm3; (17)Flash Point: 354.7 °C; (18)Enthalpy of Vaporization: 101.04 kJ/mol; (19)Boiling Point: 662.9 °C at 760 mmHg; (20)Vapour Pressure: 3.5E-18 mmHg at 25°C.
Preparation of 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione: this chemical can be prepared by (6-chloro-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-hydrazine. This reaction is a kind of Oxidation. This reaction will need reagents HCl, H2O. The reaction time is 60 min by heating. The yield is about 58%.
Uses of 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione: it can be used to produce 4-thioxo-1,4,5,7-tetrahydro-pyrazolo[3,4-d]pyrimidin-6-one. It will need reagents pyridine, P2S5.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C2\C(C(=O)N1)=C/NN2
(2)InChI: InChI=1/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
(3)InChIKey: HXNFUBHNUDHIGC-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
(5)Std. InChIKey: HXNFUBHNUDHIGC-UHFFFAOYSA-N