CAS No.813222-82-1,3-Pyridinesulfonyl chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	813222-82-1
Name:	3-Pyridinesulfonyl chloride

Formula:	C₅H₄ClNO₂S
Molecular Weight:	177.61
Synonyms:	Pyridine-3-sulfonyl chloride;
Density:	1.488 g/cm³
Boiling Point:	284.2 °C at 760 mmHg
Flash Point:	125.7 °C
PSA:	0.00000
LogP:	0.00000

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Specification

The 3-Pyridinesulfonyl chloride, with the CAS registry number 813222-82-1, is also known as Chloro-3-pyridylsulfone. This chemical's molecular formula is C₅H₄ClNO₂S and molecular weight is 177.61. What's more, its systematic name is Pyridine-3-sulfonyl chloride.

Physical properties about 3-Pyridinesulfonyl chloride are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.4; (6)ACD/BCF (pH 7.4): 1.4; (7)ACD/KOC (pH 5.5): 44.29; (8)ACD/KOC (pH 7.4): 44.29; (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: 38.19 cm³; (15)Molar Volume: 119.3 cm³; (16)Polarizability: 15.14×10^-24 cm³; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.488 g/cm³; (19)Flash Point: 125.7 °C; (20)Enthalpy of Vaporization: 50.21 kJ/mol; (21)Boiling Point: 284.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00519 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(Cl)c1cccnc1
(2) InChI: InChI=1/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
(3) InChIKey: CDRNYKLYADJTMN-UHFFFAOYAZ