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5-Bromo-4-chloro-2-methylsulfanyl-pyrimidine

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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 Molecular Structure of 63810-78-6 (5-Bromo-4-chloro-2-methylsulfanyl-pyrimidine) Hazard Symbols N/A
Synonyms

5-Bromo-4-chloro-2-(methylthio)pyrimidine;

Article Data 5

5-Bromo-4-chloro-2-methylsulfanyl-pyrimidine Specification

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

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