2-Fluorophenyl methyl sulfone - CAS 654-47-7

Name: 2-Fluorophenyl methyl sulfone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032731
Product Name:	2-Fluorophenyl methyl sulfone
CAS:	654-47-7
Synonyms:	1-fluoro-2-methylsulfonylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-fluoro-2-methylsulfonylbenzene
Description:	2-Fluorophenyl methyl sulfone (CAS# 654-47-7) is used as a reagent in the synthesis of thiazolyl benzamides as novel allosteric glucokinase activators.
Molecular Weight:	174.19
Molecular Formula:	C7H7FO2S
Canonical SMILES:	CS(=O)(=O)C1=CC=CC=C1F
InChI:	InChI=1S/C7H7FO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key:	DRQGZMZPKOYPKW-UHFFFAOYSA-N
Boiling Point:	304.5 °C at 760 mmHg
Density:	0.975 g/cm³
LogP:	2.31000

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Related Functional Groups

Fluorinated Building Blocks

[452-76-6]C7H6F2
2,4-Difluorotoluene
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[1975118-13-8]C11H11F2N3
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline
[1211518-11-4]C4H2ClF3N4
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
[861225-50-5]C11H9ClF2O3
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-

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
[1005626-64-1]C13H14N6OS
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[42729-26-0]C8H4F3NS2
3-(Trifluoromethylthio)phenyl isothiocyanate
[2039-96-5]C6H15NaO3SSi
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
GB-2592341-A	Electrode compositions	20191016
WO-2021074406-A1	Electrode compositions	20191016
US-2020235420-A1	Lithium fluoride-based and related cathode compositions and batteries comprising the same	20190118
WO-2020131648-A1	Non-aqueous electrolyte containing lifsi salt for fast charging/discharging of lithium-ion battery	20181217
US-2020176762-A1	Electron conductive polymer composites and their use as electrode materials	20181203

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.01507880
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.01507880
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3