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Tetrabutylammonium heptadecafluorooctanesulfonate - ≥95.0% (H-NMR), high purity , CAS No.111873-33-7

COA

Cas Number: 111873-33-7
Molecular Weight: 741.59
MDL number: MFCD00270129
PubChem CID: 16218638

In stock

Item Number

T464108

Grouped product items
SKU	Size	Availability	Price	Qty
T464108-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$767.90

Basic Description

Synonyms	MUOQTHSUZGSHGW-UHFFFAOYSA-M \| Heptadecafluorooctanesulfonic acid tetrabutylammonium salt \| DTXSID40584995 \| 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;tetrabutylazanium \| Tetrabutylammonium heptadecafluorooctanesulfonate \| Tetrabu
Specifications & Purity	≥95%(NMR)
Product Description	Description Tetrabutylammonium heptadecafluorooctanesulfonate [NBu4][(PFOc)SO3] can be used as:A model ionic liquid for the possible replacement of perfluorocarbons, which are used in oxygen therapeutics.A supporting electrolyte in the electropolymerization of 3,4-ethylenedioxythiophene (EDOT) derivatives to obtain superhydrophobic surfaces.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Alkyl halides
    - Subclass Alkyl fluorides
      - Level5 Perfluoroalkyl sulfonic acid and derivatives
        Level6 Perfluorooctane sulfonic acid and derivatives

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Alkyl halides
Subclass	Alkyl fluorides
Intermediate Tree Nodes	Perfluoroalkyl sulfonic acid and derivatives
Direct Parent	Perfluorooctane sulfonic acid and derivatives
Alternative Parents	Tetraalkylammonium salts Sulfonyls Organosulfonic acids Alkanesulfonic acids Organopnictogen compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Amines
Molecular Framework	Not available
Substituents	Perfluorooctane sulfonic acid or derivatives - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Tetraalkylammonium salt - Sulfonyl - Alkanesulfonic acid - Amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as perfluorooctane sulfonic acid and derivatives. These are organic compounds containing an octyl chain attached to the sulfur of a sulfonic acid (or a derivative thereof), where all hydrogens of the octyl chain are replaced by fluorine atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;tetrabutylazanium
INCHI	InChI=1S/C16H36N.C8HF17O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h5-16H2,1-4H3;(H,26,27,28)/q+1;/p-1
InChIKey	MUOQTHSUZGSHGW-UHFFFAOYSA-M
Smiles	CCCC[N+](CCCC)(CCCC)CCCC.C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric SMILES	CCCC[N+](CCCC)(CCCC)CCCC.C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
WGK Germany	3
PubChem CID	16218638
Molecular Weight	741.59

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	741.600 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	18
Exact Mass	741.214 Da
Monoisotopic Mass	741.214 Da
Topological Polar Surface Area	65.600 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	830.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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