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Name |
2-Pyridinesulfonylchloride, 6-bromo- |
EINECS | N/A |
CAS No. | 912934-77-1 | Density | 1.893g/cm3 |
PSA | 55.41000 | LogP | 2.85240 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H3BrClNO2S | Boiling Point | 349.3 °C at 760 mmHg |
Molecular Weight | 256.507 | Flash Point | 165.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-bromopyridine-2-sulfonyl chloride |
The 2-Pyridinesulfonylchloride, 6-bromo-, with CAS registry number 912934-77-1, has the systematic name of 6-Bromopyridine-2-sulfonyl chloride. And the chemical formula of this chemical is C5H3BrClNO2S.
Physical properties of 2-Pyridinesulfonylchloride, 6-bromo-: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 10.93; (6)ACD/BCF (pH 7.4): 10.93; (7)ACD/KOC (pH 5.5): 192.73; (8)ACD/KOC (pH 7.4): 192.73; (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)Enthalpy of Vaporization: 57.04 kJ/mol; (19)Vapour Pressure: 9.55E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nc(c1)Br)S(=O)(=O)Cl
(2)InChI: InChI=1/C5H3BrClNO2S/c6-4-2-1-3-5(8-4)11(7,9)10/h1-3H
(3)InChIKey: UGUYJEZIJYXIDU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C5H3BrClNO2S/c6-4-2-1-3-5(8-4)11(7,9)10/h1-3H
(5)Std. InChIKey: UGUYJEZIJYXIDU-UHFFFAOYSA-N