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CAS No.: | 874959-68-9 |
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Name: | 5-BROMO-PYRIDINE-2-SULFONYL CHLORIDE |
Molecular Structure: | |
Formula: | C5H3BrClNO2S |
Molecular Weight: | 256.507 |
Synonyms: | 5-Bromopyridin-2-sulfonylchloride;5-Bromopyridine-2-sulfonyl chloride; |
Density: | 1.893 g/cm3 |
Boiling Point: | 301 °C at 760 mmHg |
Flash Point: | 135.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 55.41000 |
LogP: | 2.85240 |
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This chemical is called 2-Pyridinesulfonylchloride, 5-bromo-, and its systematic name is 5-Bromopyridine-2-sulfonyl chloride. With the molecular formula of C5H3BrClNO2S, its molecular weight is 256.5. The CAS registry number of this chemical is 874959-68-9.
Other characteristics of the 2-Pyridinesulfonylchloride, 5-bromo- can be summarised as followings: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.31; (6)ACD/BCF (pH 7.4): 13.31; (7)ACD/KOC (pH 5.5): 222.03; (8)ACD/KOC (pH 7.4): 222.03; (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: 1.593; (14)Molar Refractivity: 45.92 cm3; (15)Molar Volume: 135.4 cm3; (16)Polarizability: 18.2×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.893 g/cm3; (19)Flash Point: 135.8 °C; (20)Enthalpy of Vaporization: 51.95 kJ/mol; (21)Boiling Point: 301 °C at 760 mmHg; (22)Vapour Pressure: 0.00194 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(ncc1Br)S(=O)(=O)Cl
2.InChI: InChI=1/C5H3BrClNO2S/c6-4-1-2-5(8-3-4)11(7,9)10/h1-3H
3.InChIKey: CZPJXSLJOVFCOH-UHFFFAOYAO