Difluoromethyl phenyl sulfone - CAS 1535-65-5

Name: Difluoromethyl phenyl sulfone
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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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 °C at 760 mmHg
Purity:	95 %
Density:	1.348 g/cm³
Appearance:	Solidified mass or fragments
MDL:	MFCD01050170
LogP:	2.76370

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Related Functional Groups

Fluorinated Building Blocks

[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[452-76-6]C7H6F2
2,4-Difluorotoluene
[2091593-59-6]C9H10F3NO
3-methoxy-6-methyl-2-(trifluoromethyl)aniline

Other Pyrimidines

[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[452-76-6]C7H6F2
2,4-Difluorotoluene
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline

Sulfur Compounds

[2006276-82-8]C9H12ClNO4S2
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[162894-76-0]C2H7NO3S
2-Hydroxyethane-1-sulfonamide
[42729-26-0]C8H4F3NS2
3-(Trifluoromethylthio)phenyl isothiocyanate
[874-87-3]C8H9ClS
4-(Methylthio)benzyl chloride
[1005651-99-9]C12H17N5OS
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

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

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)

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