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Small Molecules & Compound Libraries
Sodium 4-fluorobenzoate - 98%, high purity , CAS No.499-90-1

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Sodium 4-fluorobenzoate - 98%, high purity , CAS No.499-90-1

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 499-90-1
Molecular Weight: 162.1
PubChem CID: 23690451
PubChem SID: 488200553

In stock

Item Number

S358726

Grouped product items
SKU	Size	Availability	Price	Qty
S358726-25g	25g	4	$23.90
S358726-100g	100g	2	$59.90

Basic Description

Synonyms	EN300-7692148 \| sodium;4-fluorobenzoate \| D83108 \| AKOS003052886 \| sodium 4-fluorobenzoate \| 4-Fluorobenzoic acid sodium salt \| sodium4-fluorobenzoate \| BENZOIC ACID, 4-FLUORO-, SODIUM SALT \| DTXSID80198151 \| 4-fluorobenzoic acid; sodium \| SY316753 \| AKOS
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 Halobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	Halobenzoic acids
Alternative Parents	4-halobenzoic acids Benzoic acids Benzoyl derivatives Fluorobenzenes Aryl fluorides Carboxylic acid salts Organic metal halides Carboxylic acids Organooxygen compounds Organofluorides Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Halobenzoic acid - 4-halobenzoic acid - 4-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carboxylic acid salt - Organic metal halide - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organooxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the 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

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	488200553
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488200553
IUPAC Name	sodium;4-fluorobenzoate
INCHI	InChI=1S/C7H5FO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
InChIKey	BXUFZAPBZADONQ-UHFFFAOYSA-M
Smiles	C1=CC(=CC=C1C(=O)[O-])F.[Na+]
Isomeric SMILES	C1=CC(=CC=C1C(=O)[O-])F.[Na+]
PubChem CID	23690451
Molecular Weight	162.1

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
A2304730	Certificate of Analysis	Dec 13, 2022	S358726
A2304471	Certificate of Analysis	Dec 13, 2022	S358726
A2304710	Certificate of Analysis	Dec 13, 2022	S358726
A2304472	Certificate of Analysis	Dec 13, 2022	S358726

Chemical and Physical Properties

Molecular Weight	162.090 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	162.009 Da
Monoisotopic Mass	162.009 Da
Topological Polar Surface Area	40.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	132.000
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

Alternative Products

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Yiming Shen, Zhaoyi Yan, Kai Wang. (2024) Cobalt(II) mediated electro-oxidation of toluene and its derivatives. CHEMICAL ENGINEERING JOURNAL, 488 (150857).

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