Skip to the beginning of the images gallery

Sodium 3-fluorobenzoate - 95%, high purity , CAS No.499-57-0

COA

Grade & Purity:

≥95%

Cas Number: 499-57-0
Molecular Weight: 162.1
PubChem CID: 2779345
PubChem SID: 488193827

In stock

Item Number

S358727

Grouped product items
SKU	Size	Availability	Price	Qty
S358727-25g	25g	3	$79.90
S358727-100g	100g	3	$251.90

Discover Sodium 3-fluorobenzoate by Aladdin Scientific in 95% for only $79.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	PS-11783 \| AKOS006228800 \| FT-0632233 \| CK1073 \| MFCD03788550 \| SODIUM3-FLUOROBENZOATE \| Benzoic acid, 3-fluoro-, sodium salt (1:1) \| sodium;3-fluorobenzoate \| DTXSID80381400 \| Sodium 3-fluorobenzoate \| AKOS003051594 \| 3-FLUOROBENZOIC ACID SODIUM
Specifications & Purity	≥95%
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	3-halobenzoic acids Benzoic acids Benzoyl derivatives Fluorobenzenes Aryl fluorides Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Halobenzoic acid - 3-halobenzoic acid - 3-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 - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - 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

Names and Identifiers

Pubchem Sid	488193827
IUPAC Name	sodium;3-fluorobenzoate
INCHI	InChI=1S/C7H5FO2.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
InChIKey	GCXUCULHJVOCJG-UHFFFAOYSA-M
Smiles	C1=CC(=CC(=C1)F)C(=O)[O-].[Na+]
Isomeric SMILES	C1=CC(=CC(=C1)F)C(=O)[O-].[Na+]
PubChem CID	2779345
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.

2 results found

Lot Number	Certificate Type	Date	Item
K2211553	Certificate of Analysis	Nov 02, 2022	S358727
K2211677	Certificate of Analysis	Nov 02, 2022	S358727

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	140.000
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

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