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Sodium benzoate - analytical standard, high purity , CAS No.532-32-1

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Item Number
S104127
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Price Qty
S104127-1g
1g
5
$66.90
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Apoptosis (4276)

Basic Description

Synonyms EC 208-534-8 | EINECS 208-534-8 | Benzoic acid, sodium salt | CHEBI:113455 | Benzoate sodium | s panax mist for refill | SODIUM BENZOATE (II) | Sodium benzoate (TN) | SODIUM BENZOATE [ORANGE BOOK] | SODIUM BENZOATE [USP-RS] | Caswell No. 746 | Benzoan sod
Specifications & Purity analytical standard
Shipped In Normal
Grade analytical standard

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Benzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct Parent Benzoic acids
Alternative Parents Benzoyl derivatives  Carboxylic acid salts  Monocarboxylic acids and derivatives  Carboxylic acids  Organooxygen compounds  Organic sodium salts  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Benzoic acid - Benzoyl - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors Not available

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CA5A Tclin Carbonic anhydrase VA (1168 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FFAR3 Tchem Free fatty acid receptor 3 (304 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

CA4 Carbonic anhydrase IV (1713 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Carbonic anhydrase (69 Activities)
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

IUPAC Name sodium;benzoate
INCHI InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
InChIKey WXMKPNITSTVMEF-UHFFFAOYSA-M
Smiles C1=CC=C(C=C1)C(=O)[O-].[Na+]
Isomeric SMILES C1=CC=C(C=C1)C(=O)[O-].[Na+]
WGK Germany 1
RTECS DH6650000
Molecular Weight 144.10
Beilstein 3572467

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
B2102257 Certificate of Analysis Dec 12, 2022 S104127
F2215341 Certificate of Analysis Jun 22, 2022 S104127

Chemical and Physical Properties

Solubility Soluble in water and ethanol, glycerol, methanol.
Sensitivity Moisture sensitive.
Flash Point(°C) >100°C
Melt Point(°C) 436 °C
Molecular Weight 144.100 g/mol
XLogP3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 144.019 Da
Monoisotopic Mass 144.019 Da
Topological Polar Surface Area 40.100 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 108.000
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

Citations of This Product

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