CAS No.599-70-2,Ethyl phenyl sulfone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	599-70-2
Name:	Ethyl phenyl sulfone
Article Data:	196

Formula:	C₈H₁₀O₂S
Molecular Weight:	170.232
Synonyms:	Sulfone,ethyl phenyl (6CI,7CI,8CI);(Ethylsulfonyl)benzene;Ethyl phenyl sulfone;Phenyl ethyl sulfone;Phenylsulfonylethane;
EINECS:	209-972-2
Density:	1.152g/cm³
Melting Point:	35-40 °C(lit.)
Boiling Point:	313.2 °C at 760 mmHg
Flash Point:	175.1 °C
Solubility:	Insoluble in water
Appearance:	white to light yellow crystalline powder
Hazard Symbols:	Xi
Safety:	24/25
PSA:	42.52000
LogP:	2.56100

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Specification

The Benzene,(ethylsulfonyl)-, with CAS registry number 599-70-2, belongs to the following product categories: (1)Sulfur Compounds (for Synthesis); (2)Synthetic Organic Chemistry; (3)Organic Building Blocks; (4)Sulfones; (5)Sulfur Compounds. It has the systematic name of (ethylsulfonyl)benzene. This chemical is a kind of white to light yellow crystalline powder. When use this chemical, avoid contact with skin and eyes.

Physical properties of Benzene,(ethylsulfonyl)-: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.58; (6)ACD/BCF (pH 7.4): 3.58; (7)ACD/KOC (pH 5.5): 86.71; (8)ACD/KOC (pH 7.4): 86.71; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.52 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 44.82 cm³; (15)Molar Volume: 147.7 cm³; (16)Polarizability: 17.77×10^-24cm³; (17)Surface Tension: 36.6 dyne/cm; (18)Density: 1.152 g/cm³; (19)Flash Point: 175.1 °C; (20)Enthalpy of Vaporization: 53.22 kJ/mol; (21)Boiling Point: 313.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000926 mmHg at 25°C.

Preparation: this chemical can be prepared by ethenesulfonyl-benzene. This reaction will need reagent hydrogen. The reaction time is 16 hour(s) with reaction temperature of 20 ℃.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)CC
(2)InChI: InChI=1/C8H10O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
(3)InChIKey: VBQUDDWATQWCPP-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H10O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
(5)Std. InChIKey: VBQUDDWATQWCPP-UHFFFAOYSA-N