1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol - CAS 21314-17-0
Catalog: |
BB050170 |
Product Name: |
1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol |
CAS: |
21314-17-0 |
Synonyms: |
4-Hydroxy-1-Phenylpyrazolo[3,4-d]pyrimidine; 1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one; 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-1-phenyl-; 1,5-Dihydro-1-phenyl-4H-pyrazolo[3,4-d]pyrimidin-4-one; 1-Phenylallopurinol; NSC 3954; 1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one; 1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one |
Application: |
White to Pale Beige Solid |
IUPAC Name: | 1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one |
Description: | 1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol (CAS# 21314-17-0) is a useful research chemical. |
Molecular Weight: | 212.21 |
Molecular Formula: | C11H8N4O |
Canonical SMILES: | C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)NC=N3 |
InChI: | InChI=1S/C11H8N4O/c16-11-9-6-14-15(10(9)12-7-13-11)8-4-2-1-3-5-8/h1-7H,(H,12,13,16) |
InChI Key: | GDZQGHGCKKWNAC-UHFFFAOYSA-N |
Boiling Point: | 353.6±35.0 °C at 760 mmHg |
Melting Point: | 304-307 °C |
Purity: | 95 % |
Density: | 1.45±0.1 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly, Heated) |
Appearance: | White crystalline solid |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.06981089 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.06981089 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 59.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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