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Sodium 2,3,5,6-Tetrafluoro-4-hydroxybenzenesulfonate - 98%, high purity , CAS No.221908-17-4

COA

Grade & Purity:

≥98%

Cas Number: 221908-17-4
Molecular Weight: 268.11
PubChem CID: 23686972
PubChem SID: 504769663

In stock

Item Number

S161246

Grouped product items
SKU	Size	Availability	Price
S161246-200mg	200mg	3	$37.90
S161246-1g	1g	3	$142.90
S161246-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$494.90

View related series

Non heterocyclic fluorine-containing block (1408) Synthetic block (741)

Basic Description

Synonyms	SY056347 \| SCHEMBL3747429 \| Sodium 2,3,5,6-Tetrafluoro-4-hydroxybenzenesulfonate \| AKOS015853341 \| DTXSID80635617 \| MFCD03427812 \| HVXPVJLSYQBYCR-UHFFFAOYSA-M \| Sodium 2,3,5,6-tetrafluoro-4-hydroxybenzene-1-sulfonate \| sodium2,3,5,6-tetrafluoro-4-hydroxyb
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonic acids and derivatives
Alternative Parents	Benzenesulfonyl compounds Arylsulfonic acids and derivatives O-fluorophenols M-fluorophenols Fluorobenzenes Aryl fluorides Sulfonyls Organosulfonic acids Organic metal halides Organooxygen compounds Organofluorides Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 3-halophenol - 2-halophenol - 3-fluorophenol - 2-fluorophenol - Fluorobenzene - Halobenzene - Phenol - Aryl halide - Aryl fluoride - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic metal halide - Organic alkali metal salt - Organic salt - Organic sodium salt - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
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	504769663
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769663
IUPAC Name	sodium;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate
INCHI	InChI=1S/C6H2F4O4S.Na/c7-1-3(9)6(15(12,13)14)4(10)2(8)5(1)11;/h11H,(H,12,13,14);/q;+1/p-1
InChIKey	HVXPVJLSYQBYCR-UHFFFAOYSA-M
Smiles	C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)O.[Na+]
Isomeric SMILES	C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)O.[Na+]
Molecular Weight	268.11
Reaxy-Rn	8297156
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8297156&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
L2222049	Certificate of Analysis	Nov 26, 2022	S161246
L2222065	Certificate of Analysis	Nov 26, 2022	S161246
L2222027	Certificate of Analysis	Nov 26, 2022	S161246

Chemical and Physical Properties

Molecular Weight	268.120 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Exact Mass	267.943 Da
Monoisotopic Mass	267.943 Da
Topological Polar Surface Area	85.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	318.000
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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