4-Bromo-2-(methylsulfonyl)pyrimidine supplier

Name
4-Bromo-2-(methylsulfonyl)pyrimidine
EINECS
CAS No. 1208538-52-6
Article Data3
CAS DataBase
Density 1.771 g/cm³
Solubility
Melting Point 111-112 °C
Formula C₅H₅BrN₂O₂S
Boiling Point 393.716 °C at 760 mmHg
Molecular Weight 237.07
Flash Point 191.913 °C
Transport Information
Appearance White Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-bromo-2-methylsulfonylpyrimidine
PSA 68.30000
LogP 1.72340

4-Bromo-2-(methylsulfonyl)pyrimidine Specification

The 4-Bromo-2-(methylsulfonyl)pyrimidine, with the CAS registry number 1208538-52-6, is also known as Pyrimidine, 4-bromo-2-(methylsulfonyl)-. This chemical's molecular formula is C₅H₅BrN₂O₂S and molecular weight is 237.07. What's more, its systematic name is 4-Bromo-2-(methylsulfonyl)pyrimidine.

Physical properties of 4-Bromo-2-(methylsulfonyl)pyrimidine are: (1)ACD/LogP: -0.135; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/LogD (pH 7.4): -0.14; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 20.11; (8)ACD/KOC (pH 7.4): 20.11; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 68.3 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 43.515 cm³; (15)Molar Volume: 133.843 cm³; (16)Polarizability: 17.251×10^-24cm³; (17)Surface Tension: 55.6 dyne/cm; (18)Density: 1.771 g/cm³; (19)Flash Point: 191.913 °C; (20)Enthalpy of Vaporization: 61.851 kJ/mol; (21)Boiling Point: 393.716 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CS(=O)(=O)c1nccc(n1)Br
(2)Std. InChI: InChI=1S/C5H5BrN2O2S/c1-11(9,10)5-7-3-2-4(6)8-5/h2-3H,1H3
(3)Std. InChIKey: YOTSMHQEKCYLQI-UHFFFAOYSA-N

Product Name

4-Bromo-2-(methylsulfonyl)pyrimidine

4-Bromo-2-(methylsulfonyl)pyrimidine Specification

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