4-Fluorophenyl methyl sulfone - CAS 455-15-2

Catalog:	BB025905
Product Name:	4-Fluorophenyl methyl sulfone
CAS:	455-15-2
Synonyms:	1-fluoro-4-methylsulfonylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-fluoro-4-methylsulfonylbenzene
Description:	Used for preparation of substituted indazole amides as glucokinase activators.
Molecular Weight:	174.19
Molecular Formula:	C7H7FO2S
Canonical SMILES:	CS(=O)(=O)C1=CC=C(C=C1)F
InChI:	InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChI Key:	DPJHZJGAGIWXTD-UHFFFAOYSA-N
Boiling Point:	95-97 °C / 7 mmHg
Purity:	> 98.0 % (GC)
Density:	1.286 g/cm³
Appearance:	White solid
MDL:	MFCD00039753
LogP:	2.31000

Publication Number	Title	Priority Date
WO-2021147882-A1	Dibenzofuran derivative cathepsin k inhibitor, preparation method therefor and medical use thereof	20200121
GB-2592341-A	Electrode compositions	20191016
WO-2021074406-A1	Electrode compositions	20191016
WO-2021067458-A1	Protein-macromolecule conjugates and methods of use thereof	20190930
WO-2021016263-A1	Cysteine binding compositions and methods of use thereof	20190721

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Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[1778-09-2]
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[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol

GHS Hazard Statement:	H302 (28.57%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (71.43%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (71.43%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (85.71%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.0150788
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.0150788
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5