4-(Methylsulfonyl)anisole - CAS 3517-90-6

Catalog:	BB022516
Product Name:	4-(Methylsulfonyl)anisole
CAS:	3517-90-6
Synonyms:	1-methoxy-4-methylsulfonylbenzene; 1-methoxy-4-methylsulfonylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-methoxy-4-methylsulfonylbenzene
Description:	4-(Methylsulfonyl)anisole (CAS# 3517-90-6) is a useful research chemical.
Molecular Weight:	186.23
Molecular Formula:	C8H10O3S
Canonical SMILES:	COC1=CC=C(C=C1)S(=O)(=O)C
InChI:	InChI=1S/C8H10O3S/c1-11-7-3-5-8(6-4-7)12(2,9)10/h3-6H,1-2H3
InChI Key:	KAZUCVUGWMQGMC-UHFFFAOYSA-N
Boiling Point:	341.1 °C at 760 mmHg
Density:	1.199 g/cm³
MDL:	MFCD00025069
LogP:	2.17950

Publication Number	Title	Priority Date
CN-112358425-A	Method for synthesizing aryl alkyl sulfone compound by oxidizing aryl alkyl thioether compound under promotion of visible light	20201119
CN-111925308-A	Method for synthesizing N-substituted sulfone diimine by photocatalysis	20200813
GB-2592341-A	Electrode compositions	20191016
WO-2021074406-A1	Electrode compositions	20191016
WO-2021034087-A1	Novel compound having cancer metastasis inhibitory activity, preparation method therefor, and pharmaceutical composition for inhibiting cancer metastasis and invasion or treating colorectal cancer, comprising compound	20190819

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
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[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[6633-90-5]
1,4-Butanedithiol diacetate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[104496-91-5]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.03506535
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.03506535
Rotatable Bond Count:	2
Topological Polar Surface Area:	51.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8