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CAS No.: | 62009-33-0 |
---|---|
Name: | 5-BROMOPYRIDINE-3-SULPHONAMIDE 98 |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C5H5BrN2O2S |
Molecular Weight: | 237.077 |
Synonyms: | 5-Bromo-3-pyridinesulfonamide;5-Bromopyridine-3-sulfonic acid amide; |
Density: | 1.855 g/cm3 |
Melting Point: | 171-173 °C |
Boiling Point: | 396.7 °C at 760 mmHg |
Flash Point: | 193.7 °C |
Hazard Symbols: | Xi |
PSA: | 81.43000 |
LogP: | 2.27260 |
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The 3-Pyridinesulfonamide,5-bromo-, with the CAS registry number 62009-33-0, is also known as Methyl 5-bromopyridine-3-sulfonic acid amide. It belongs to the product categories of Blocks; Bromides; Pyridines; Sulfonamides. This chemical's molecular formula is C5H5BrN2O2S and molecular weight is 237.0765. What's more, its systematic name is 5-Bromopyridine-3-sulfonamide. This chemical is inflammation to the skin or other mucous membranes.
Physical properties about 3-Pyridinesulfonamide,5-bromo-: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 2.34; (6)ACD/BCF (pH 7.4): 2.31; (7)ACD/KOC (pH 5.5): 63.97; (8)ACD/KOC (pH 7.4): 63.2; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 81.43 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 44.71 cm3; (15)Molar Volume: 127.7 cm3; (16)Surface Tension: 62.7 dyne/cm; (17)Density: 1.855 g/cm3; (18)Flash Point: 193.7 °C; (19)Enthalpy of Vaporization: 64.71 kJ/mol; (20)Boiling Point: 396.7 °C at 760 mmHg; (21)Vapour Pressure: 1.67E-06 mmHg at 25 °C; (22)Melting point: 171-173 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(N)(=O)c1cncc(Br)c1
(2) InChI: InChI=1/C5H5BrN2O2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H,(H2,7,9,10)
(3) InChIKey: ZJAYGKNATMSZHZ-UHFFFAOYAO