Pentafluorophenyl methanesulphonate

CAT: 0127-PC10572Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC10572Size:250 mg

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CAS Number

161912-36-3

Synonyms

Pentafluorophenyl mesylate, Perfluorophenyl methanesulphonate

MDL Number

MFCD06659544

Purity

95%

Smiles

CS(=O)(=O)Oc1c(F)c(F)c(F)c(F)c1F

Storage Conditions

Store at 2-8°C

Chemical Information

Perfluorophenyl methanesulfonate

CAS Number	161912-36-3
PubChem CID	2783233
IUPAC Name	(2,3,4,5,6-pentafluorophenyl) methanesulfonate
Molecular Formula	C7H3F5O3S
Molecular Weight	262.16
XLogP	2
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	326

SMILES

CS(=O)(=O)OC1=C(C(=C(C(=C1F)F)F)F)F

InChI

InChI=1S/C7H3F5O3S/c1-16(13,14)15-7-5(11)3(9)2(8)4(10)6(7)12/h1H3

InChIKey

ARSIBVWMPYUPQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 161912-36-3

CID: 2783233

Formula: C7H3F5O3S

MW: 262.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.16
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	261.97230594
Monoisotopic Mass	261.97230594
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	326
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC11271	2,3,4,5,6-Pentafluorophenyl (3-chlorophenyl) methanesulphonate
OR1042877-01	Tetrabutylammonium methanesulphonate
OR17116	Cyclohexylmethyl methanesulphonate
PC49661	4,4,5,5,5-Pentafluoropentyl methanesulphonate
PC5692-01	Pentafluorophenyl isothiocyanate
PC4318-01	Pentafluorophenyl methacrylate
PC908067-01	Pentafluorophenyl diphenylphosphinate
PC5808	Pentafluorophenyl isonicotinate
PC7353-01	Pentafluorophenyl trifluoromethanesulphonate
PC4610-01	Pentafluorophenyl acrylate

Catalog	Name
AR-E02007-01	N-Butyl methanesulphonate
AR-E02008-01	Tert-Butyl Methanesulphonate
sc-260986	3-Fluoropropyl methanesulphonate
85108-01	Ethyl Methanesulphonate (EMS) extrapure, 98%
XYA55360	Pentafluorophenyl ethanesulphonate
286563-01	Pentafluorophenyl Isocyanate
288446-01	Pentafluorophenyl Trifluoromethanesulfonate
sc-279953	(Pentafluorophenyl) diphenylphosphine
sc-253248	Pentafluorophenyl trifluoroacetate
sc-215689A	Pentafluorophenyl acetate