Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Pyrimidinecarboxylicacid, 4-methyl-2-(trifluoromethyl)- |
EINECS | N/A |
CAS No. | 306960-74-7 | Density | 1.575 g/cm3 |
PSA | 63.08000 | LogP | 1.50200 |
Solubility | N/A | Melting Point |
>210℃ |
Formula | C6H3F3N2O2 | Boiling Point | 220.665 °C at 760 mmHg |
Molecular Weight | 192.0954296 | Flash Point | 87.256 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(Trifluoromethyl)-5-pyrimidinecarboxylic acid;5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-; |
Article Data | 4 |
The 5-Pyrimidinecarboxylicacid, 4-methyl-2-(trifluoromethyl)-, with the CAS registry number 306960-74-7, is also known as 2-(Trifluoromethyl)-5-pyrimidinecarboxylic acid. It belongs to the product category of Pyrimidines. This chemical's molecular formula is C6H3F3N2O2 and molecular weight is 192.09. Its systematic name is called 2-(trifluoromethyl)pyrimidine-5-carboxylic acid.
Physical properties of 5-Pyrimidinecarboxylicacid, 4-methyl-2-(trifluoromethyl)-: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.475; (13)Molar Refractivity: 34.345 cm3; (14)Molar Volume: 121.921 cm3; (15)Surface Tension: 44.504 dyne/cm; (16)Density: 1.576 g/cm3; (17)Flash Point: 87.256 °C; (18)Enthalpy of Vaporization: 48.314 kJ/mol; (19)Boiling Point: 220.665 °C at 760 mmHg; (20)Vapour Pressure: 0.064 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ncc(C(=O)O)cn1
(2)InChI: InChI=1/C6H3F3N2O2/c7-6(8,9)5-10-1-3(2-11-5)4(12)13/h1-2H,(H,12,13)
(3)InChIKey: RGLZXVNOHDUMRJ-UHFFFAOYAT