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34586-43-1

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Basic Information
CAS No.: 34586-43-1
Name: 2-ETHYLBENZENESULPHONYL CHLORIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 34586-43-1 (2-ETHYLBENZENESULPHONYL CHLORIDE)
Formula: C8H9ClO2S
Molecular Weight: 204.677
Synonyms: 2-Ethylbenzenesulfonylchloride;2-Ethylphenylsulfonyl chloride;o-Ethylbenzenesulfonyl chloride;
Density: 1.287 g/cm3
Boiling Point: 290.6 °C at 760 mmHg
Flash Point: 129.5 °C
Hazard Symbols: Xi
PSA: 42.52000
LogP: 3.25730
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Specification

The CAS registry number of Benzenesulfonylchloride, 2-ethyl- is 34586-43-1. This chemical is also known as o-Ethylbenzenesulfonyl chloride. Its molecular formula is C8H9ClO2S and molecular weight is 204.6739. Its systematic name is called 2-Ethylphenylsulfonyl chloride.

Physical properties about Benzenesulfonylchloride, 2-ethyl- are:(1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 108.09; (6)ACD/BCF (pH 7.4): 108.09; (7)ACD/KOC (pH 5.5): 994.01; (8)ACD/KOC (pH 7.4): 994.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.537; (13)Molar Refractivity: 49.65 cm3; (14)Molar Volume: 158.9 cm3; (15)Surface Tension: 40.3 dyne/cm; (16)Density: 1.287 g/cm3; (17)Flash Point: 129.5 °C; (18)Enthalpy of Vaporization: 50.87 kJ/mol; (19)Boiling Point: 290.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00358 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c1ccccc1CC
(2)InChI: InChI=1/C8H9ClO2S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h3-6H,2H2,1H3
(3)InChIKey: LIZNEYWXYFVEBF-UHFFFAOYAD