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4-(Fluorosulfonyl)benzoic acid - 97%, high purity , CAS No.455-26-5

COA

Grade & Purity:

≥97%

Cas Number: 455-26-5
Molecular Weight: 204.17
PubChem CID: 67998
PubChem SID: 504754236

In stock

Item Number

F340024

Grouped product items
SKU	Size	Availability	Price
F340024-50mg	50mg	3	$17.90
F340024-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
F340024-250mg	250mg	3	$61.90
F340024-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$163.90

a xenobiotic substrate analogue

Basic Description

Synonyms	FT-0632156 \| p-fluor-osulfonylbenzoic acid \| DJUJJHDCOUPERR-UHFFFAOYSA-N \| 4-(Fluorosulfonyl)benzoic acid, 95% \| 4-FSB acid \| EINECS 207-243-3 \| MFCD00007420 \| AKOS001025676 \| D76950 \| 4-(Fluorosulphonyl)benzoic acid \| VS-0068 \| 4-fluorosulfonylbenzoic ac
Specifications & Purity	≥97%
Storage Temp	Room temperature,Argon charged
Shipped In	Normal
Product Description	4-(Fluorosulfonyl)benzoic acid is a xenobiotic substrate analogue which on incubation with 4-4 isozyme of rat liver glutathione S-transferase results in a time-dependent inactivation of the enzyme.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonyl compounds
Alternative Parents	Benzoic acids Benzoyl derivatives Sulfonyls Sulfonyl fluorides Organosulfonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - Benzoyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl fluoride - Sulfonyl halide - Sulfonyl - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504754236
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754236
IUPAC Name	4-fluorosulfonylbenzoic acid
INCHI	InChI=1S/C7H5FO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey	DJUJJHDCOUPERR-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C(=O)O)S(=O)(=O)F
Isomeric SMILES	C1=CC(=CC=C1C(=O)O)S(=O)(=O)F
WGK Germany	3
UN Number	3261
Packing Group	II
Molecular Weight	204.17
Reaxy-Rn	2212421
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212421&ln=

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.

3 results found

Lot Number	Certificate Type	Date	Item
K2223380	Certificate of Analysis	Sep 06, 2022	F340024
K2223366	Certificate of Analysis	Sep 06, 2022	F340024
K2223357	Certificate of Analysis	Sep 06, 2022	F340024

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Melt Point(°C)	272-273 °C
Molecular Weight	204.180 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	203.989 Da
Monoisotopic Mass	203.989 Da
Topological Polar Surface Area	79.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	284.000
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

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