2,3,4-Trihydroxybenzaldehyde - ≥98% , CAS No.2144-08-3

CAS: 2144-08-3 Cat. No.: T107278 Molecular Weight: 154.12 Beilstein Registry Number: 2328658 EC Number: 218-404-2 PubChem CID: 75064

GRADE & PURITY ≥98%

Synonyms

DTXCID0031473 | 2,3,4-trihydroxy benzaldehyde | 2,4-Trihydroxybenzaldehyde | Benzaldehyde,3,4-trihydroxy- | Tox21_113928 | EN300-21495 | Pyrogallol-4-carboxaldehyde | SY037740 | 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid | Isothiocyanic acid, (4-p

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Antimicrobial activity of carbohydrazone derived from 2,3,4-trihydroxybenzaldehyde against bacteria and fungi has been investigated. 2,3,4-trihydroxybenzaldehyde forms Schiff bases via [1+1] condensation with anthranilic acid

Application

2,3,4-Trihydroxybenzaldehyde has been used in the preparation of 1,5-dimethyl-2-phenyl-4-[(1E)-(2,3,4-trihydroxybenzylidene)amino]-1H-pyrazol-3(2H)-one

Specifications

Synonyms

DTXCID0031473 | 2, 3, 4-trihydroxy benzaldehyde | 2, 4-Trihydroxybenzaldehyde | Benzaldehyde, 3, 4-trihydroxy- | Tox21_113928 | EN300-21495 | Pyrogallol-4-carboxaldehyde | SY037740 | 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid | Isothiocyanic acid, (4-p

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185024
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185024
• Canonical Smiles: C1=CC(=C(C(=C1C=O)O)O)O
• IUPAC Name: 2,3,4-trihydroxybenzaldehyde
• InChIKey: CRPNQSVBEWWHIJ-UHFFFAOYSA-N
• INCHI: 1S/C7H6O4/c8-3-4-1-2-5(9)7(11)6(4)10/h1-3,9-11H
• Isomeric SMILES: C1=CC(=C(C(=C1C=O)O)O)O
• WGK Germany: 2
• RTECS: CU8439800
• PubChem CID: 75064
• Molecular Weight: 154.12
• Beilstein: 2328658
• Reaxy-Rn: 2328658

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Benzenetriols and derivatives
        • Level5 Pyrogallols and derivatives
          • Level6 5-unsubstituted pyrrogallols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Benzenetriols and derivatives
• Intermediate Tree Nodes: Pyrogallols and derivatives
• Direct Parent: 5-unsubstituted pyrrogallols
• Alternative Parents: Hydroxybenzaldehydes Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 5-unsubstituted pyrrogallol - Hydroxybenzaldehyde - Benzaldehyde - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aryl-aldehyde - Monocyclic benzene moiety - Vinylogous acid - Polyol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 5-unsubstituted pyrrogallols. These are pyrrogallols that are unsubstituted at th5-position of the benzene ring.
• External Descriptors: Not available

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

Associated Targets(non-human)

Vibrio harveyi (399 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Air Sensitive
• Melt Point(°C): 159-161°C
• Molecular Weight: 154.120 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 154.027 Da
• Monoisotopic Mass: 154.027 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• 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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