Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Bromo-4-chloro-2-methylsulfanyl-pyrimidine |
EINECS | N/A |
CAS No. | 63810-78-6 | Density | 1.83 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
45.0 to 49.0 °C |
Formula | C5H4BrClN2S | Boiling Point | 309.5 °C at 760 mmHg |
Molecular Weight | 239.523 | Flash Point | 141 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39-45 | Risk Codes | 34-22 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Bromo-4-chloro-2-(methylthio)pyrimidine; |
Article Data | 5 |
The 5-Bromo-4-chloro-2-methylsulfanyl-pyrimidine, with the CAS registry number 63810-78-6, is also known as Pyrimidine, 5-bromo-4-chloro-2-(methylthio)-. This chemical's molecular formula is C5H4BrClN2S and molecular weight is 239.52066. Its systematic name is called 5-bromo-4-chloro-2-(methylsulfanyl)pyrimidine.
Physical properties of 5-Bromo-4-chloro-2-methylsulfanyl-pyrimidine: (1)ACD/LogP: 2.29; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.649; (5)Molar Refractivity: 47.53 cm3; (6)Molar Volume: 130.3 cm3; (7)Surface Tension: 68.7 dyne/cm; (8)Density: 1.83 g/cm3; (9)Flash Point: 141 °C; (10)Enthalpy of Vaporization: 52.83 kJ/mol; (11)Boiling Point: 309.5 °C at 760 mmHg; (12)Vapour Pressure: 0.00116 mmHg at 25°C.
Uses of 5-Bromo-4-chloro-2-methylsulfanyl-pyrimidine: it can be used to produce 5-bromo-4-chloro-2-methylsulfonylpyrimidine. This reaction will need reagent 80percent m-chloroperoxybenzoic acid and solvent CH2Cl2 with reaction time of 1 hour. The yield is about 85%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(SC)ncc1Br
(2)InChI: InChI=1/C5H4BrClN2S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3
(3)InChIKey: XVRYJQACDDVZEI-UHFFFAOYAD