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CAS No.: | 38275-48-8 |
---|---|
Name: | 5-BROMO-2-METHANESULFONYL-PYRIMIDINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C5H5BrN2O2S |
Molecular Weight: | 237.077 |
Synonyms: | 5-bromo-2-methylsulfonyl-pyrimidine;5-Bromo-2-(methylsulphonyl)pyrimidine; |
Density: | 1.771 g/cm3 |
Melting Point: | 130-133°C |
Boiling Point: | 393.7 °C at 760 mmHg |
Flash Point: | 191.9 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26 |
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The Pyrimidine, 5-bromo-2- (methylsulfonyl)- is an organic compound with the formula C5H5BrN2O2S. With the CAS registry number 38275-48-8, the IUPAC name of this chemical is 5-bromo-2-methylsulfonylpyrimidine.
Physical properties about Pyrimidine, 5-bromo-2- (methylsulfonyl)- are: (1)ACD/LogP: -0.14; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 68.3 Å2; (5)Index of Refraction: 1.563; (6)Molar Refractivity: 43.51 cm3; (7)Molar Volume: 133.8 cm3; (8)Polarizability: 17.25×10-24cm3; (9)Surface Tension: 55.6 dyne/cm; (10)Density: 1.771 g/cm3; (11)Flash Point: 191.9 °C; (12)Enthalpy of Vaporization: 61.85 kJ/mol; (13)Boiling Point: 393.7 °C at 760 mmHg; (14)Vapour Pressure: 4.73E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc(nc1)S(=O)(=O)C
(2)InChI: InChI=1/C5H5BrN2O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,1H3
(3)InChIKey: MVIRMXABVKJKAR-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C5H5BrN2O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,1H3
(5)Std. InChIKey: MVIRMXABVKJKAR-UHFFFAOYSA-N