Basic Information | Post buying leads | Suppliers |
Name |
5-Bromo-4-(trifluoromethyl)pyrimidine |
EINECS | N/A |
CAS No. | 785777-88-0 | Density | 1.807 g/cm3 |
PSA | 25.78000 | LogP | 2.25790 |
Solubility | N/A | Melting Point |
-4--2 °C |
Formula | C5H2BrF3N2 | Boiling Point | 201.7 °C at 760 mmHg |
Molecular Weight | 226.9819896 | Flash Point | 75.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37 | Risk Codes | 20/21/22 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
pyrimidine,5-bromo-4-(trifluoromethyl)-; |
The 5-Bromo-4-(trifluoromethyl)pyrimidine with CAS registry number of 785777-88-0 also called pyrimidine,5-bromo-4-(trifluoromethyl)-. In addition, the formula is C5H2BrF3N2 and the molecular weight is 226.9819896. It should be stored in a cool environment.
Physical properties about this chemical are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.17; (6)ACD/BCF (pH 7.4): 4.17; (7)ACD/KOC (pH 5.5): 96.77; (8)ACD/KOC (pH 7.4): 96.77; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 35.1 cm3; (15)Molar Volume: 125.5 cm3; (16)Polarizability: 13.91 ×10-24cm3; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.807 g/cm3; (19)Flash Point: 75.8 °C; (20)Enthalpy of Vaporization: 42.01 kJ/mol; (21)Boiling Point: 201.7 °C at 760 mmHg; (22)Vapour Pressure: 0.43 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ncncc1Br
(2)InChI: InChI=1/C5H2BrF3N2/c6-3-1-10-2-11-4(3)5(7,8)9/h1-2H
(3)InChIKey: XQBMNXRFVINPTJ-UHFFFAOYAO