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CAS No.: | 4025-71-2 |
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Name: | 2-PHENYL-ETHANESULFONYL CHLORIDE |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C8H9ClO2S |
Molecular Weight: | 204.677 |
Synonyms: | Ethanesulfonylchloride, 2-phenyl- (6CI,7CI,8CI);2-Phenethanesulfonyl chloride;2-Phenylethanesulfonyl chloride;2-Phenylethylsulfonyl chloride;Phenethylsulfonyl chloride; |
Density: | 1.323 g/cm3 |
Melting Point: | 32-33 °C |
Boiling Point: | 295.8 °C at 760 mmHg |
Flash Point: | 132.7 °C |
PSA: | 42.52000 |
LogP: | 2.87850 |
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The Benzeneethanesulfonylchloride is an organic compound with the formula C8H9ClO2S. The systematic name of this chemical is 2-phenylethanesulfonyl chloride. With the CAS registry number 4025-71-2, it is also named as chloro(2-phenylethyl)sulfone.
Physical properties about Benzeneethanesulfonylchloride are: (1)ACD/LogP: 2.43; (2)ACD/LogD (pH 5.5): 2.43; (3)ACD/LogD (pH 7.4): 2.43; (4)ACD/BCF (pH 5.5): 41.19; (5)ACD/BCF (pH 7.4): 41.19; (6)ACD/KOC (pH 5.5): 498.3; (7)ACD/KOC (pH 7.4): 498.3; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 42.52 Å2; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 49.66 cm3; (13)Molar Volume: 154.6 cm3; (14)Polarizability: 19.68×10-24cm3; (15)Surface Tension: 47.2 dyne/cm; (16)Density: 1.323 g/cm3; (17)Flash Point: 132.7 °C; (18)Enthalpy of Vaporization: 51.41 kJ/mol; (19)Boiling Point: 295.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00262 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)CCc1ccccc1
(2)InChI: InChI=1/C8H9ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
(3)InChIKey: LKFNLHZZPHHFEC-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H9ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
(5)Std. InChIKey: LKFNLHZZPHHFEC-UHFFFAOYSA-N