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CAS No.: | 343262-51-1 |
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Name: | 2-BROMO-5-(METHYLSULFONYL)PYRIDINE |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C6H6BrNO2S |
Molecular Weight: | 236.089 |
Synonyms: | 5-Methylsulfonyl-2-bromopyridine; |
EINECS: | 200-589-5 |
Density: | 1.679 g/cm3 |
Boiling Point: | 387.661 °C at 760 mmHg |
Flash Point: | 188.251 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 55.41000 |
LogP: | 2.32840 |
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The Pyridine,2-bromo-5-(methylsulfonyl)-, with the CAS registry number 343262-51-1, has the systematic name of 2-Bromo-5-(methylsulfonyl)pyridine. It belongs to the product category of Pyridine. And the molecular formula of this chemical is C6H6BrNO2S.
The physical properties of Pyridine,2-bromo-5-(methylsulfonyl)- are as followings: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18; (8)ACD/KOC (pH 7.4): 18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.41 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 45.716 cm3; (15)Molar Volume: 140.62 cm3; (16)Polarizability: 18.123×10-24cm3; (17)Surface Tension: 47.898 dyne/cm; (18)Density: 1.679 g/cm3; (19)Flash Point: 188.251 °C; (20)Enthalpy of Vaporization: 61.186 kJ/mol; (21)Boiling Point: 387.661 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cnc(Br)cc1)C
(2)InChI: InChI=1/C6H6BrNO2S/c1-11(9,10)5-2-3-6(7)8-4-5/h2-4H,1H3
(3)InChIKey: ZRXQHWYUAIXKRL-UHFFFAOYAG