Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromo-2-(methylsulfonyl)pyrimidine |
EINECS | N/A |
CAS No. | 1208538-52-6 | Density | 1.771 g/cm3 |
PSA | 68.30000 | LogP | 1.72340 |
Solubility | N/A | 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 | N/A | Appearance | White Solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-bromo-2-methylsulfonylpyrimidine |
Article Data | 3 |
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