Basic Information | Post buying leads | Suppliers | Cas Database |
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 | 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 |
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