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| CAS No.: | 42899-76-3 |
|---|---|
| Name: | PYRIDINE-3-SULFONYL CHLORIDE |
| Article Data: | 13 |
| Molecular Structure: | |
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|
|
| Formula: | C5H4ClNO2S.ClH |
| Molecular Weight: | 214.072 |
| Synonyms: | 3-Pyridinesulfonylchloride, hydrochloride (9CI);3-Pyridylsulfonyl chloride hydrochloride; |
| Melting Point: | 120-126°C |
| Boiling Point: | 314.4 °C at 760 mmHg |
| Flash Point: | 143.9 °C |
| Solubility: | Reacts with water. |
| Hazard Symbols: |
 C
|
| Risk Codes: | C:; ">  C:; |
| Safety: | 8-22-26-30-45-36/37/39 |
| PSA: | 55.41000 |
| LogP: | 2.08990 |
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Specification
The 3-Pyridinesulfonylchloride, hydrochloride (1:1), with cas register number of 42899-76-3, belongs to categories of blocks; Pyridines. It also can be called 3-pyridinesulfonyl chloride; Pyridine-3-sulfonyl chloride ; Pyridine-3-sulfonyl chloride hydrochloride. Its systematic name is called pyridine-3-sulfonyl chloride hydrochloride (1:1). This chemical is corrosive. It should be stored below -20°C.
Physical properties about this chemical are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 44; (8)ACD/KOC (pH 7.4): 44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.41 Å2; (13)Flash Point: 143.9 °C; (14)Enthalpy of Vaporization: 56.66 kJ/mol; (15)Boiling Point: 314.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000344 mmHg at 25°C; (17)Melting Point: 120-126°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=S(=O)(Cl)c1cccnc1;
(2)InChI: InChI=1/C5H4ClNO2S.ClH/c6-10(8,9)5-2-1-3-7-4-5;/h1-4H;1H;
(3)InChIKey: VIVPWOMJFLICOZ-UHFFFAOYAS