2-Trifluoromethylpyrimidine-4,6-diol supplier

Name
2-(TRIFLUOROMETHYL)PYRIMIDINE-4,6-DIOL
EINECS
CAS No. 672-47-9
Article Data9
CAS DataBase
Density 1.75 g/cm³
Solubility
Melting Point 254-256℃
Formula C₅H₃F₃N₂O₂
Boiling Point 228.5 °C at 760 mmHg
Molecular Weight 180.086
Flash Point 92 °C
Transport Information
Appearance
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;
PSA 66.24000
LogP 0.90660

2-Trifluoromethylpyrimidine-4,6-diol Specification

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

Product Name

2-(TRIFLUOROMETHYL)PYRIMIDINE-4,6-DIOL

2-Trifluoromethylpyrimidine-4,6-diol Specification

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