Ethyl phenyl sulfone - CAS 599-70-2

Catalog:	BB030569
Product Name:	Ethyl phenyl sulfone
CAS:	599-70-2
Synonyms:	ethylsulfonylbenzene

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Computed Properties

IUPAC Name:	ethylsulfonylbenzene
Description:	Ethyl phenyl sulfone (CAS# 599-70-2) is a useful research chemical.
Molecular Weight:	170.23
Molecular Formula:	C8H10O2S
Canonical SMILES:	CCS(=O)(=O)C1=CC=CC=C1
InChI:	InChI=1S/C8H10O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key:	VBQUDDWATQWCPP-UHFFFAOYSA-N
Boiling Point:	103 ℃ / 1 mmHg
Melting Point:	39-43 ℃
Purity:	> 97.0 % (GC)
Density:	1.14 g/cm³
Appearance:	White to light yellow crystalline powder
LogP:	2.56100

Publication Number	Title	Priority Date
CN-112592300-A	Method for preparing sulfone by catalytic oxidation of thioether	20201202
CN-112358425-A	Method for synthesizing aryl alkyl sulfone compound by oxidizing aryl alkyl thioether compound under promotion of visible light	20201119
CN-112174283-A	Flocculant for treating heavy metal-containing sewage	20201021
CN-111925308-A	Method for synthesizing N-substituted sulfone diimine by photocatalysis	20200813
JP-2021147407-A	How to measure the transparency of polyamic acid varnish, polyamic acid varnish, polyimide manufacturing method and polyimide film	20200316

PMID	Publication Date	Title	Journal
22161298	20120601	Bacterial assisted phytoremediation for enhanced degradation of highly sulfonated diazo reactive dye	Environmental science and pollution research international
21497998	20110615	Differential fate of metabolism of a sulfonated azo dye Remazol Orange 3R by plants Aster amellus Linn., Glandularia pulchella (Sweet) Tronc. and their consortium	Journal of hazardous materials
18528979	20080702	Aryl vinyl sulfonates and sulfones as active site-directed and mechanism-based probes for protein tyrosine phosphatases	Journal of the American Chemical Society
12639572	20030224	Lead discovery of alpha,beta-unsaturated sulfones from a combinatorial library as inhibitors of inducible VCAM-1 expression	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.04015073
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.04015073
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9