5-BROMO-4-CHLORO-2-METHANESULFONYL-PYRIMIDINE

The Pyrimidine,5-bromo-4-chloro-2-(methylsulfonyl)- is an organic compound with the formula C₅H₄BrClN₂O₂S. With the CAS registry number 79091-24-0, the IUPAC name of this chemical is 5-bromo-4-chloro-2-methylsulfonylpyrimidine.

Physical properties about Pyrimidine,5-bromo-4-chloro-2-(methylsulfonyl)- are: (1)ACD/LogP: 0.37; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 68.3 Å²; (5)Index of Refraction: 1.577; (6)Molar Refractivity: 48.34 cm³; (7)Molar Volume: 145.7 cm³; (8)Polarizability: 19.16×10^-24cm³; (9)Surface Tension: 58.1 dyne/cm; (10)Density: 1.862 g/cm³; (11)Flash Point: 214.6 °C; (12)Enthalpy of Vaporization: 66.03 kJ/mol; (13)Boiling Point: 431.3 °C at 760 mmHg; (14)Vapour Pressure: 3.06E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-bromo-4-chloro-2-methylsulfanyl-pyrimidine. This reaction will need reagent 80 percent m-chloroperoxybenzoic acid and solvent CH₂Cl₂. The reaction time is 60 min at ambient temperature. The yield is about 85%.

Uses of Pyrimidine,5-bromo-4-chloro-2-(methylsulfonyl)-: it can be used to produce 6-methylsulfonyl-2-phenyl-4H-pyrimido[4,5-e][1,3,4]thiadiazine by heating. It will need reagent dimethylformamide, triethylamine with reaction time of 4 hours. The yield is about 33%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(ncc1Br)S(=O)(=O)C
(2)InChI: InChI=1/C5H4BrClN2O2S/c1-12(10,11)5-8-2-3(6)4(7)9-5/h2H,1H3
(3)InChIKey: FATRNESSGITUQV-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C5H4BrClN2O2S/c1-12(10,11)5-8-2-3(6)4(7)9-5/h2H,1H3
(5)Std. InChIKey: FATRNESSGITUQV-UHFFFAOYSA-N