Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Trifluoromethylpyrimidine-4,6-diol |
EINECS | N/A |
CAS No. | 672-47-9 | Density | 1.75 g/cm3 |
PSA | 66.24000 | LogP | 0.90660 |
Solubility | N/A | Melting Point |
254-256℃ |
Formula | C5H3F3N2O2 | Boiling Point | 228.5 °C at 760 mmHg |
Molecular Weight | 180.086 | Flash Point | 92 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
4,6-Pyrimidinediol,2-(trifluoromethyl)- (7CI,8CI);2-Trifluoromethylpyrimidine-4,6-diol;NSC 52339; |
Article Data | 9 |
The 4(1H)-Pyrimidinone,6-hydroxy-2-(trifluoromethyl)-, with the CAS registry number 672-47-9, is also known as 2-Trifluoromethyl-pyrimidine-4,6-diol. This chemical's molecular formula is C5H3F3N2O2 and molecular weight is 180.08473. Its IUPAC name is called 4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one.
Physical properties of 4(1H)-Pyrimidinone,6-hydroxy-2-(trifluoromethyl)-: (1)ACD/LogP: 0.87; (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: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.516; (10)Molar Refractivity: 30.99 cm3; (11)Molar Volume: 102.5 cm3; (12)Surface Tension: 40.5 dyne/cm; (13)Density: 1.75 g/cm3; (14)Flash Point: 92 °C; (15)Enthalpy of Vaporization: 48.4 kJ/mol; (16)Boiling Point: 228.5 °C at 760 mmHg; (17)Vapour Pressure: 0.0486 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(N=C(NC1=O)C(F)(F)F)O
(2)InChI: InChI=1S/C5H3F3N2O2/c6-5(7,8)4-9-2(11)1-3(12)10-4/h1H,(H2,9,10,11,12)
(3)InChIKey: AMGBKPNVGVAFEN-UHFFFAOYSA-N