Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | C | |
Synonyms |
4-(Pyridin-3-yloxy)benzenesulfonyl chloride; |
Article Data | 2 |
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