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Name |
3-Pyridinesulfonylchloride, 5-bromo-, hydrochloride (1:1) |
EINECS | N/A |
CAS No. | 913836-25-6 | Density | N/A |
PSA | 55.41000 | LogP | 3.65440 |
Solubility | N/A | Melting Point |
93-95°C |
Formula | C5H4BrCl2NO2S | Boiling Point | 356.7 °C at 760 mmHg |
Molecular Weight | 292.968 | Flash Point | 169.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Pyridinesulfonylchloride, 5-bromo-, hydrochloride (9CI);5-Bromopyridine-3-sulfonyl chloridehydrochloride; |
The 3-Pyridinesulfonylchloride, 5-bromo-, hydrochloride (1:1), with CAS registry number 913836-25-6, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Pyridines. It has the systematic name of 5-bromopyridine-3-sulfonyl chloride hydrochloride. This chemical should be kept cold. And the chemical formula of this chemical is C5H4BrCl2NO2S.
Physical properties of 3-Pyridinesulfonylchloride, 5-bromo-, hydrochloride (1:1): (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 1.89; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 55.41 Å2; (9)Flash Point: 169.5 °C; (10)Enthalpy of Vaporization: 61.38 kJ/mol; (11)Boiling Point: 356.7 °C at 760 mmHg; (12)Vapour Pressure: 2E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cncc1Br)S(=O)(=O)Cl.Cl
(2)InChI: InChI=1/C5H3BrClNO2S.ClH/c6-4-1-5(3-8-2-4)11(7,9)10;/h1-3H;1H
(3)InChIKey: YDXZUVLGYGROKT-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C5H3BrClNO2S.ClH/c6-4-1-5(3-8-2-4)11(7,9)10;/h1-3H;1H
(5)Std. InChIKey: YDXZUVLGYGROKT-UHFFFAOYSA-N