Difluoromethyl phenyl sulfone - CAS 1535-65-5

Catalog:	BB010915
Product Name:	Difluoromethyl phenyl sulfone
CAS:	1535-65-5
Synonyms:	difluoromethylsulfonylbenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	difluoromethylsulfonylbenzene
Description:	Difluoromethyl Phenyl Sulfone has been used as a reagent for the nucleophilic difluoro(phenylsulfonyl)methylation of carbonyls.
Molecular Weight:	192.18
Molecular Formula:	C7H6F2O2S
Canonical SMILES:	C1=CC=C(C=C1)S(=O)(=O)C(F)F
InChI:	InChI=1S/C7H6F2O2S/c8-7(9)12(10,11)6-4-2-1-3-5-6/h1-5,7H
InChI Key:	LRHDNAVPELLXDL-UHFFFAOYSA-N
Boiling Point:	289.547 ℃ at 760 mmHg
Purity:	95 %
Density:	1.348 g/cm³
Appearance:	Solidified mass or fragments
MDL:	MFCD01050170
LogP:	2.76370

Publication Number	Title	Priority Date
WO-2021202781-A1	N-heteroarylalkyl-2-(heterocyclyl and heterocyclylmethyl) acetamide derivatives as sstr4 agonists	20200331
WO-2021155316-A1	Compounds and uses thereof	20200129
CN-110981768-A	Simple synthesis method of aryl difluoroalkyl sulfoxide compound	20191223
WO-2021098809-A1	Bicyclic compound used as selective androgen receptor modulator	20191120
CN-112574076-A	Preparation method of difluoromethyl sulfone compound	20190930

PMID	Publication Date	Title	Journal
20725920	20101004	Highly diastereoselective synthesis of α-difluoromethyl amines from N-tert-butylsulfinyl ketimines and difluoromethyl phenyl sulfone	Chemistry (Weinheim an der Bergstrasse, Germany)
16277309	20050930	Synthesis of 2'-C-difluoromethylribonucleosides and their enzymatic incorporation into oligonucleotides	The Journal of organic chemistry
15524472	20041111	Nucleophilic difluoromethylation of primary alkyl halides using difluoromethyl phenyl sulfone as a difluoromethyl anion equivalent	Organic letters
15455416	20041004	Difluoromethyl phenyl sulfone, a difluoromethylidene equivalent: use in the synthesis of 1,1-difluoro-1-alkenes	Angewandte Chemie (International ed. in English)
14601176	20031103	Difluoromethyl phenyl sulfone as a selective difluoromethylene dianion equivalent: one-pot stereoselective synthesis of anti-2,2-difluoropropane-1,3-diols	Angewandte Chemie (International ed. in English)

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Sulfur Compounds

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Sulfophenyl nonanoate sodium salt
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[6358-69-6]
8-Hydroxypyrene-1,3,6-trisulfonic acid trisodium salt

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

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.00565693
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.00565693
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1