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2-Methyl-6-(trifluoromethyl)pyrimidin-4-ol

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Name

2-Methyl-6-(trifluoromethyl)pyrimidin-4-ol

EINECS N/A
CAS No. 2836-44-4 Density 1.47 g/cm3
PSA 46.01000 LogP 1.50940
Solubility N/A Melting Point 141.0 to 145.0 °C
Formula C6H5F3N2O Boiling Point 148.6 °C at 760 mmHg
Molecular Weight 178.11 Flash Point 43.7 °C
Transport Information N/A Appearance N/A
Safety 36/37 Risk Codes 20/22
Molecular Structure Molecular Structure of 2836-44-4 (4-HYDROXY-2-METHYL-6-TRIFLUOROMETHYLPYRIMIDINE) Hazard Symbols N/A
Synonyms

4(1H)-Pyrimidinone,2-methyl-6-(trifluoromethyl)- (9CI);4-Pyrimidinol,2-methyl-6-(trifluoromethyl)- (6CI,7CI,8CI);4-Hydroxy-2-methyl-6-trifluoromethylpyrimidine;NSC 33044;6-Hydroxy-2-methyl-4-trifluoromethylpyrimidine;2-Methyl-6-(trifluoromethyl)-4-pyrimidinol;4-Pyrimidinol, 2-methyl-6- (trifluoromethyl)-;

Article Data 6

2-Methyl-6-(trifluoromethyl)pyrimidin-4-ol Specification

The 2-Methyl-6-(trifluoromethyl)pyrimidin-4-ol, with the CAS registry number 2836-44-4, is also known as 4-Hydroxy-2-methyl-6-trifluoromethylpyrimidine. This chemical's molecular formula is C6H5F3N2O and formula weight is 178.11. What's more, its systematic name is 2-methyl-6-(trifluoromethyl)pyrimidin-4(1H)-one.

Physical properties of 2-Methyl-6-(trifluoromethyl)pyrimidin-4-ol are: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.36; (5)ACD/BCF (pH 5.5): 3.28; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 80.36; (8)ACD/KOC (pH 7.4): 18.97; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 34.56 cm3; (15)Molar Volume: 120.4 cm3; (16)Surface Tension: 30.9 dyne/cm; (17)Density: 1.47 g/cm3; (18)Flash Point: 43.7 °C; (19)Enthalpy of Vaporization: 38.56 kJ/mol; (20)Boiling Point: 148.6 °C at 760 mmHg; (21)Vapour Pressure: 4.18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C=1N\C(=N/C(=O)C=1)C
(2)InChI: InChI=1S/C6H5F3N2O/c1-3-10-4(6(7,8)9)2-5(12)11-3/h2H,1H3,(H,10,11,12)
(3)InChIKey: DBDRDWKBAGNHHS-UHFFFAOYSA-N

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