Skip to the beginning of the images gallery

4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid - >95.0%(HPLC)(T), high purity , CAS No.125662-60-4

COA

Grade & Purity:

≥95%

Cas Number: 125662-60-4
Molecular Weight: 274.14
PubChem CID: 19807654

In stock

Item Number

S161045

Grouped product items
SKU	Size	Availability	Price
S161045-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
S161045-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$129.90
S161045-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$302.90

View related series

Carbonyl compound (2335) carboxylic acid (2098) Sulfonic acid,Sulfinic acid (5)

Basic Description

Synonyms	S0510 \| CS-0358937 \| DTXSID00600145 \| SCHEMBL7074393 \| A925708 \| 2,3,5,6-Tetrafluoro-4-sulfobenzoic acid \| 2,3,5,6-Tetrafluoro-4-sulfobenzoicacid \| 4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid \| MFCD08276421 \| T71663 \| Benzoic acid, 2,3,5,6-tetrafluoro-4-sulfo
Specifications & Purity	≥95%
Storage Temp	Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonic acids and derivatives
      - Level5 Sulfobenzoic acids
        Level6 4-sulfobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Sulfobenzoic acids
Direct Parent	4-sulfobenzoic acids
Alternative Parents	2-halobenzoic acids 3-halobenzoic acids Halobenzoic acids Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Fluorobenzenes Aryl fluorides Organosulfonic acids Sulfonyls Vinylogous halides Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	4-sulfobenzoic acid - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - 3-halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-carboxy-2-haloaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 4-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 4-position of the benzene group.
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	2,3,5,6-tetrafluoro-4-sulfobenzoic acid
INCHI	InChI=1S/C7H2F4O5S/c8-2-1(7(12)13)3(9)5(11)6(4(2)10)17(14,15)16/h(H,12,13)(H,14,15,16)
InChIKey	JNESNWCWZVATQY-UHFFFAOYSA-N
Smiles	C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)C(=O)O
Isomeric SMILES	C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)C(=O)O
PubChem CID	19807654
Molecular Weight	274.14

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
B2506420	Certificate of Analysis	Jan 16, 2025	S161045
B2506443	Certificate of Analysis	Jan 16, 2025	S161045
B2506444	Certificate of Analysis	Jan 16, 2025	S161045
B2506520	Certificate of Analysis	Jan 16, 2025	S161045

Chemical and Physical Properties

Sensitivity	Hygroscopic
Molecular Weight	274.150 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	273.956 Da
Monoisotopic Mass	273.956 Da
Topological Polar Surface Area	100.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	391.000
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	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration