CAS No.63810-78-6,5-Bromo-4-chloro-2-methylsulfanyl-pyrimidine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	63810-78-6
Name:	5-Bromo-4-chloro-2-methylsulfanyl-pyrimidine
Article Data:	5

Formula:	C₅H₄BrClN₂S
Molecular Weight:	239.523
Synonyms:	5-Bromo-4-chloro-2-(methylthio)pyrimidine;
Density:	1.83 g/cm³
Melting Point:	45.0 to 49.0 °C
Boiling Point:	309.5 °C at 760 mmHg
Flash Point:	141 °C
Risk Codes:	34-22
Safety:	26-36/37/39-45

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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 CH₂Cl₂with 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