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Benzenesulfonyl chloride, 4-(3-pyridinyloxy)-

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Name

Benzenesulfonyl chloride, 4-(3-pyridinyloxy)-

EINECS N/A
CAS No. 694471-97-1 Density 1.42 g/cm3
PSA 64.64000 LogP 4.68420
Solubility N/A Melting Point N/A
Formula C11H8ClNO3S Boiling Point 392.1 °C at 760 mmHg
Molecular Weight 269.708 Flash Point 191 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 694471-97-1 ((4-(3-PYRIDYLOXY)PHENYL)SULFONYL CHLORIDE HYDROCHLORIDE) Hazard Symbols C
Synonyms

4-(Pyridin-3-yloxy)benzenesulfonyl chloride;

Article Data 2

Benzenesulfonyl chloride, 4-(3-pyridinyloxy)- Specification

The CAS registry number of Benzenesulfonyl chloride, 4-(3-pyridinyloxy)- is 694471-97-1. This chemical is also named as 4-(Pyridin-3-yloxy)-benzenesulfonylchloride hydrochloride. In addition, its molecular formula is C11H8ClNO3S and molecular weight is 269.7041. Its systematic name is called 4-(Pyridin-3-yloxy)benzenesulfonyl chloride.

Physical properties about Benzenesulfonyl chloride, 4-(3-pyridinyloxy)- are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 130.43; (6)ACD/BCF (pH 7.4): 131.27; (7)ACD/KOC (pH 5.5): 1134.96; (8)ACD/KOC (pH 7.4): 1142.33; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.596; (13)Molar Refractivity: 64.64 cm3; (14)Molar Volume: 189.8 cm3; (15)Surface Tension: 52 dyne/cm; (16)Density: 1.42 g/cm3; (17)Flash Point: 191 °C; (18)Enthalpy of Vaporization: 61.68 kJ/mol; (19)Boiling Point: 392.1 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c2ccc(Oc1cccnc1)cc2
(2)InChI: InChI=1/C11H8ClNO3S/c12-17(14,15)11-5-3-9(4-6-11)16-10-2-1-7-13-8-10/h1-8H
(3)InChIKey: QUVLZOAPMANZQR-UHFFFAOYAU

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