5-BROMO-1,3-DIMETHYLURACIL

The CAS register number of 5-Bromo-1,3-dimethyluracil is 7033-39-8. It also can be called as 2,4(1H,3H)-Pyrimidinedione,5-bromo-1,3-dimethyl- and the IUPAC name about this chemical is 5-bromo-1,3-dimethylpyrimidine-2,4-dione. The molecular formula about this chemical is C₆H₇BrN₂O₂ and the molecular weight is 219.04. It belongs to the following product categories which include Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines; PyrimidinesHeterocyclic Building Blocks and so on.

Physical properties about 5-Bromo-1,3-dimethyluracil are: (1)ACD/LogP: 0.75; (2)ACD/LogD (pH 5.5): 0.75; (3)ACD/LogD (pH 7.4): 0.75; (4)ACD/BCF (pH 5.5): 2.2; (5)ACD/BCF (pH 7.4): 2.2; (6)ACD/KOC (pH 5.5): 61.13; (7)ACD/KOC (pH 7.4): 61.13; (8)#H bond acceptors: 4; (9)Polar Surface Area: 40.62Ų; (10)Index of Refraction: 1.585; (11)Molar Refractivity: 42.64 cm³; (12)Molar Volume: 127.2 cm³; (13)Polarizability: 16.9x10^-24cm³; (14)Surface Tension: 51.2 dyne/cm; (15)Enthalpy of Vaporization: 47.91 kJ/mol; (16)Boiling Point: 242.1 °C at 760 mmHg; (17)Vapour Pressure: 0.0346 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3-dimethyl-1H-pyrimidine-2,4-dione. This reaction will need reagent bromine.

Uses of 5-Bromo-1,3-dimethyluracil: it can be used to produce 1,3-dimethyl-5-(pyridin-2-ylsulfanyl)-1H-pyrimidine-2,4-dione with 1H-pyridine-2-thione at temperature of 100 ℃. This reaction will need reagent K₂CO₃, tetrabutylammonium hydrogensulphate (TBA*HSO₄) and solvent dimethylformamide. The yield is about 39%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(C(=O)C(\Br)=C/N1C)C
(2)InChI: InChI=1/C6H7BrN2O2/c1-8-3-4(7)5(10)9(2)6(8)11/h3H,1-2H3
(3)InChIKey: QITOSXPGCRFMDG-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H7BrN2O2/c1-8-3-4(7)5(10)9(2)6(8)11/h3H,1-2H3
(5)Std. InChIKey: QITOSXPGCRFMDG-UHFFFAOYSA-N