5-Bromo-4-phenylpyrimidine

The Pyrimidine,5-bromo-4-phenyl-, with the CAS registry number 3543-46-2. It belongs to the product categories of Blocks; Bromides. This chemical's molecular formula is C₁₀H₇BrN₂ and molecular weight is 235.08. What's more, its systematic name is 5-Bromo-4-phenylpyrimidine.

Physical properties of Pyrimidine,5-bromo-4-phenyl- are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 25.78 Å²; (7)Index of Refraction: 1.612; (8)Molar Refractivity: 54.71 cm³; (9)Molar Volume: 157.3 cm³; (10)Polarizability: 21.69×10^-24 cm³; (11)Surface Tension: 50.4 dyne/cm; (12)Density: 1.493 g/cm³; (13)Flash Point: 155 °C; (14)Enthalpy of Vaporization: 55.26 kJ/mol; (15)Boiling Point: 332.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000279 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-phenyl-pyrimidine at the temperature of 0-5 °C. This reaction will need reagents (1)40percent HBr, H₂SO₄; (2)sodium nitrite and solvent H₂O with the reaction time of 1 hour. The yield is about 50%.

Uses of Pyrimidine,5-bromo-4-phenyl-: it can be used to produce 4-phenyl-pyrimidine and 5-Hydroxy-4-phenylpyrimidine at the temperature of 180 °C. It will need reagent sodium methoxide and solvent methanol with the reaction time of 8 hours. The yield is about 72%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(ncnc1)c2ccccc2
(2)InChI: InChI=1/C10H7BrN2/c11-9-6-12-7-13-10(9)8-4-2-1-3-5-8/h1-7H
(3)InChIKey: SDPYFZLDWYNXJF-UHFFFAOYAP