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

CAS: 2144-08-3 Cat. No.: T107278 Fórmula: C₇H₆O₄ Peso molecular: 154.12 Beilstein Registry Number: 2328658 Número CE: 218-404-2 PubChem CID: 75064

GRAU & PUREZA ≥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

Visão geral

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

Especificações

Sinónimos

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488185024

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185024

Sorrisos canónicos

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

SMILES isoméricas

C1=CC(=C(C(=C1C=O)O)O)O

WGK Alemanha

2

RTECS

CU8439800

PubChem CID

75064

Peso molecular

154.12

Beilstein

2328658

Reaxy-Rn

2328658

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (não humanos)

Vibrio harveyi (399 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Sensibilidade: Air Sensitive
• Ponto de fusão (°C): 159-161°C
• Peso molecular: 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 2144-08-3, the molecular formula is C7H6O4, and the molecular weight is 154.12 g/mol. InChIKey CRPNQSVBEWWHIJ-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.