4(3H)-Pyrimidinone,6-hydroxy-2-phenyl- supplier

Name
4,6-Dihydroxy-2-phenylpyrimidine
EINECS
CAS No. 13566-71-7
Article Data16
CAS DataBase
Density 1.33 g/cm³
Solubility
Melting Point 325-330 °C
Formula C₁₀H₈N₂O₂
Boiling Point 292.6 °C at 760 mmHg
Molecular Weight 188.186
Flash Point 130.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinone,6-hydroxy-2-phenyl- (8CI,9CI);4,6-Pyrimidinediol, 2-phenyl- (6CI,7CI);2-Phenyl-4,6-dihydroxypyrimidine;2-Phenyl-4,6-pyrimidinediol;4,6-Dihydroxy-2-phenylpyrimidine;6-Oxo-4-hydroxy-2-phenyl-3,6-dihydropyrimidine;NSC 48054;
PSA 66.24000
LogP 1.55480

4(3H)-Pyrimidinone,6-hydroxy-2-phenyl- Specification

The 4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-, with the CAS registry number 13566-71-7, is also known as 6-Hydroxy-2-phenylpyrimidin-4(3H)-one. This chemical's molecular formula is C₁₀H₈N₂O₂ and molecular weight is 188.18272. What's more, its IUPAC name is called 4-Hydroxy-2-phenyl-1H-pyrimidin-6-one.

Physical properties about 4(3H)-Pyrimidinone,6-hydroxy-2-phenyl- are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6.7; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 41.9 Å²; (11)Index of Refraction: 1.651; (12)Molar Refractivity: 51.34 cm³; (13)Molar Volume: 140.5 cm³; (14)Surface Tension: 54.4 dyne/cm; (15)Density: 1.33 g/cm³; (16)Flash Point: 130.8 °C; (17)Enthalpy of Vaporization: 55.35 kJ/mol; (18)Boiling Point: 292.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00104 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2/C=C(/O)\N=C(\c1ccccc1)N2
(2) InChI: InChI=1/C10H8N2O2/c13-8-6-9(14)12-10(11-8)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
(3) InChIKey: WTDXDRUHQKVYKO-UHFFFAOYAE

Product Name

4,6-Dihydroxy-2-phenylpyrimidine

4(3H)-Pyrimidinone,6-hydroxy-2-phenyl- Specification

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