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Tributyl(2-methoxyethyl)phosphonium Bis(trifluoromethanesulfonyl)imide - 95%, high purity , CAS No.959698-44-3

COA

Grade & Purity:

≥95%

Cas Number: 959698-44-3
Molecular Weight: 541.55
PubChem CID: 25047738
PubChem SID: 504769944

In stock

Item Number

T121250

Grouped product items
SKU	Size	Availability	Price	Qty
T121250-5g	5g	3	$216.90
T121250-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$974.90

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Element classified compounds (2014) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms	QFLRMCUVYQFPCO-UHFFFAOYSA-N \| DTXSID10648533 \| Tributyl(2-methoxyethyl)phosphonium Bis(trifluoromethanesulfonyl)imide \| T2564 \| tributyl(2-methoxyethyl)phosphoniumbis(trifluoromethanesulfonyl)imide \| T73100 \| Tributyl(2-methoxyethyl)phosphanium bis(triflu
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic sulfonic acids and derivatives
    - Subclass Organosulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic sulfonic acids and derivatives
Subclass	Organosulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Organosulfonic acids and derivatives
Alternative Parents	Tetraalkylphosphonium compounds Sulfonyls Trihalomethanes Dialkyl ethers Organofluorides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework	Not available
Substituents	Organosulfonic acid or derivatives - Sulfonyl - Tetraalkylphosphonium compound - Trihalomethane - Ether - Dialkyl ether - Halomethane - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxide - Organic cation - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organosulfonic acids and derivatives. These are compounds containing a sulfonic acid or derivative, with the general structure RS(=O)2X (R=alkyl, aryl; X=any heteroatom).
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

Pubchem Sid	504769944
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769944
IUPAC Name	bis(trifluoromethylsulfonyl)azanide;tributyl(2-methoxyethyl)phosphanium
INCHI	InChI=1S/C15H34OP.C2F6NO4S2/c1-5-8-12-17(13-9-6-2,14-10-7-3)15-11-16-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-15H2,1-4H3;/q+1;-1
InChIKey	QFLRMCUVYQFPCO-UHFFFAOYSA-N
Smiles	CCCC[P+](CCCC)(CCCC)CCOC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
Isomeric SMILES	CCCC[P+](CCCC)(CCCC)CCOC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
Molecular Weight	541.55
Reaxy-Rn	11202831

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
E1725026	Certificate of Analysis	Jan 06, 2025	T121250

Chemical and Physical Properties

Refractive Index	1.44
Molecular Weight	541.600 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	14
Exact Mass	541.152 Da
Monoisotopic Mass	541.152 Da
Topological Polar Surface Area	95.300 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	511.000
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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