3-Pyridinesulfonylchloride, hydrochloride (1:1) (42899-76-3)

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