4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-bromo-1,5-dihydro- supplier

Name
3-BROMO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-OL
EINECS 205-525-8
CAS No. 54738-73-7
Article Data6
CAS DataBase
Density 2.236 g/cm³
Solubility
Melting Point 350℃
Formula C₅H₃BrN₄O
Boiling Point 473.096 °C at 760 mmHg
Molecular Weight 215.009
Flash Point 239.92 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-4-hydroxypyrazolo[3,4-d]pyrimidine;3-Bromoallopurinol;NSC 344532;3-Bromo-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one;
PSA 74.43000
LogP 0.40870

4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-bromo-1,5-dihydro- Specification

The 4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-bromo-1,5-dihydro-, with the CAS registry number 54738-73-7, is also known as NSC344532. This chemical's molecular formula is C₅H₃BrN₄O and molecular weight is 213.949023. Its IUPAC name is called 3-bromo-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Physical properties of 4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-bromo-1,5-dihydro-: (1)ACD/LogP: 0.62; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)Index of Refraction: 1.834; (9)Molar Refractivity: 42.374 cm³; (10)Molar Volume: 96.157 cm³; (11)Surface Tension: 120.612 dyne/cm; (12)Density: 2.236 g/cm³; (13)Flash Point: 239.92 °C; (14)Enthalpy of Vaporization: 76.428 kJ/mol; (15)Boiling Point: 473.096 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=NC(=O)C2=C(NNC2=N1)Br
(2)InChI: InChI=1S/C5H3BrN4O/c6-3-2-4(10-9-3)7-1-8-5(2)11/h1H,(H2,7,8,9,10,11)
(3)InChIKey: KAHCKNUEZSETEP-UHFFFAOYSA-N

Product Name

3-BROMO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-OL

4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-bromo-1,5-dihydro- Specification

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