2,3-Dihydroxybenzaldehyde - ≥97% , CAS No.24677-78-9

CAS: 24677-78-9 Cat. No.: D122910 Formule: C₇H₆O₃ Poids moléculaire: 138.12 Beilstein Registry Number: 2041781 Numéro CE: 246-398-1

GRADE & PURITY ≥97%

Synonyms

h-pro-ome hcl | BCP25752 | NSC146456 | NSC-146456 | o-Pyrocatechualdehyde | A817431 | DIHYDROXYBENZALDEHYDE, 2,3- | 2,3-dihydroxy benzaldehyde | EINECS 246-398-1 | BDBM111044 | SCHEMBL36440 | 3-hydroxysalicylaldehyde | 5,6-Dihydroxybenzaldehyde | Methanam

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

An antifungal and antimicrobial agent. In one study, 2,3-dihydroxybenzaldehyde was identified as a potent chemosensitizing agent that targets the cell wall. Furthermore, an additional study confirmed that 2,3-dihydroxybenzaldehyde disrupted the MAPK pathway via the SOD2 gene. The same study also found that when used with other antifungal agents such as fludioxonil, it prevented fungal mutants from developing tolerance to fludioxonil. Also found to be useful in synthesis of Amberlite XAD resins that can be used to preconcentrate metals from soil samples.

2,3-Dihydroxybenzaldehyde has been used to synthesize the copper(II) complex of Schiff base. It is also used to synthesize 2-ethoxy-3-hydroxy-4-nitrobenzoic acid

Specifications

Synonymes

h-pro-ome hcl | BCP25752 | NSC146456 | NSC-146456 | o-Pyrocatechualdehyde | A817431 | DIHYDROXYBENZALDEHYDE, 2,3- | 2,3-dihydroxy benzaldehyde | EINECS 246-398-1 | BDBM111044 | SCHEMBL36440 | 3-hydroxysalicylaldehyde | 5,6-Dihydroxybenzaldehyde | Methanam

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504756037

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756037

Sourires canoniques

C1=CC(=C(C(=C1)O)O)C=O

IUPAC Name

2,3-dihydroxybenzaldehyde

InChIKey

IXWOUPGDGMCKGT-UHFFFAOYSA-N

INCHI

1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H

Isomères SMILES

C1=CC(=C(C(=C1)O)O)C=O

WGK Allemagne

3

Poids moléculaire

138.12

Beilstein

2041781

Reaxy-Rn

2041781

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041781&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: Catechols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Catechol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
• External Descriptors: dihydroxybenzaldehyde

Data sources

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water.
• Sensibilité: air sensitive
• Point d'ébullition (°C): 120°C/16mmHg
• Point de fusion (°C): 107°C
• Poids moléculaire: 138.120 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 138.032 Da
• Monoisotopic Mass: 138.032 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 124.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 24677-78-9, the molecular formula is C7H6O3, and the molecular weight is 138.12 g/mol. InChIKey IXWOUPGDGMCKGT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.