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| CAS No.: | 66715-65-9 |
|---|---|
| Name: | PYRIDINE-2-SULFONYL CHLORIDE |
| Article Data: | 61 |
| Molecular Structure: | |
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| Formula: | C5H4ClNO2S |
| Molecular Weight: | 177.611 |
| Synonyms: | 2-Pyridinylsulfonylchloride;2-Pyridylsulfonyl chloride;Pyridin-2-sulfonyl chloride; |
| Density: | 1.489 g/cm3 |
| Boiling Point: | 284.162 °C at 760 mmHg |
| Flash Point: | 125.657 °C |
| PSA: | 55.41000 |
| LogP: | 2.08990 |
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- 2637-34-5
2-Mercaptopyridine
- 66715-65-9
pyridine-2-sulfonyl chloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; chlorine at 5℃; for 0.5h; | 97% |
| With Oxone; potassium chloride In water at 20℃; for 0.166667h; | 88% |
| With hydrogenchloride; water; chlorine at 0℃; for 2h; Inert atmosphere; | 85% |
| Conditions | Yield |
|---|---|
| With 1,3-dichloro-5,5-dimethylhydantoin; acetic acid In dichloromethane; water at 0 - 20℃; Inert atmosphere; | A 20% B 78% |
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide In water; acetonitrile at 35℃; for 0.25h; | A 11% B 57% |
- 2637-34-5
2-Mercaptopyridine
- 7647-01-0
hydrogenchloride
- 7782-50-5
chlorine
- 66715-65-9
pyridine-2-sulfonyl chloride
- 109-04-6
2-bromo-pyridine
- 66715-65-9
pyridine-2-sulfonyl chloride
| Conditions | Yield |
|---|---|
| Stage #1: 2-bromo-pyridine With isopropylmagnesium chloride In tetrahydrofuran at 20℃; for 0.5h; Stage #2: With sulfur dioxide In tetrahydrofuran at -40℃; for 0.5h; Stage #3: With sulfuryl dichloride In tetrahydrofuran at -40 - 20℃; | |
| Stage #1: 2-bromo-pyridine With n-butyllithium; dibutylmagnesium In tetrahydrofuran at -10℃; Inert atmosphere; Stage #2: With sulfuryl dichloride In tetrahydrofuran; toluene at -10 - 10℃; |
| Conditions | Yield |
|---|---|
| In hydrogenchloride |
| Conditions | Yield |
|---|---|
| With conc HCl In dichloromethane; water |
- 2637-34-5
2-Mercaptopyridine
- 66715-65-9
pyridine-2-sulfonyl chloride
| Conditions | Yield |
|---|---|
| With sulfuric acid; chlorine |
- 2127-03-9
2,2'-dipyridyldisulphide
- 66715-65-9
pyridine-2-sulfonyl chloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; chlorine at -10 - -8℃; for 0.5h; | |
| With hydrogenchloride; chlorine In water at -10℃; for 0.5h; |
- 24367-66-6
2-pyridinesulfinic acid sodium salt
- 66715-65-9
pyridine-2-sulfonyl chloride
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide In dichloromethane |
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Specification
The IUPAC name of Pyridin-2-sulfonyl chloride is pyridine-2-sulfonyl chloride. With the CAS registry number 66715-65-9, it is also named as 2-Pyridylsulfonyl chloride. In addition, its molecular formula is C5H4ClNO2S and its molecular weight is 177.60876.
The other characteristics of Pyridin-2-sulfonyl chloride can be summarized as: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.227; (4)ACD/LogD (pH 7.4): 1.227; (5)ACD/BCF (pH 5.5): 5.045; (6)ACD/BCF (pH 7.4): 5.045; (7)ACD/KOC (pH 5.5): 110.843; (8)ACD/KOC (pH 7.4): 110.843; (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: 1.553; (14)Molar Refractivity: 38.2 cm3; (15)Molar Volume: 119.313 cm3; (16)Polarizability: 15.143×10-24cm3; (17)Surface Tension: 50.296 dyne/cm; (18)Density: 1.489 g/cm3; (19)Flash Point: 125.657 °C; (20)Enthalpy of Vaporization: 50.213 kJ/mol; (21)Boiling Point: 284.162 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: c1ccnc(c1)S(=O)(=O)Cl
(2)InChI: InChI=1/C5H4ClNO2S/c6-10(8,9)5-3-1-2-4-7-5/h1-4H
(3)InChIKey: JQJOGAGLBDBMLU-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C5H4ClNO2S/c6-10(8,9)5-3-1-2-4-7-5/h1-4H
(5)Std. InChIKey: JQJOGAGLBDBMLU-UHFFFAOYSA-N