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Perfluorohexanesulfonic Acid (Technical Grade)

CAT: 0572-TRC-P999738-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P999738-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
355-46-4
Synonyms
1-Hexanesulfonic acid, tridecafluoro- (6CI,8CI); 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonic acid; 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid; 1-Perfluorohexanesulfonic acid; PFC; PFHxS; Perfluorohexanesulfonate
Hazard Statement
Causes skin irritation; UN number: UN3077; Packing Group: III
Smiles
OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Formula
C6 H F13 O3 S
Molecular Weight
400.11
InChI
InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)
Additionnal Information
IUPAC name: 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Perfluorohexanesulfonic Acid

Perfluorohexanesulfonic acid is a perfluoroalkanesulfonic acid that is hexane-1-sulfonic acid in which all thirteen of the hydrogens that are attached to carbons have been replaced by fluorines.

CAS Number355-46-4
PubChem CID67734
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
Molecular FormulaC6HF13O3S
Molecular Weight400.12
XLogP3.7
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count16
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity553
SMILES
C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)
InChIKey
QZHDEAJFRJCDMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perfluorohexanesulfonic Acid
CAS: 355-46-4
CID: 67734
Formula: C6HF13O3S
MW: 400.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.12
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count16
Rotatable Bond Count5
Exact Mass399.9438812
Monoisotopic Mass399.9438812
Topological Polar Surface Area62.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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