2,4,5-Trihydroxybenzaldehyde - ≥98%(GC) , CAS No.35094-87-2

CAS: 35094-87-2 Cat. No.: T161491 Peso molecular: 154.12 Beilstein Registry Number: 8(4)2715 Número EC: 626-789-7 PubChem CID: 643387

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00016592 | WNCNWLVQSHZVKV-UHFFFAOYSA-N | BBL101094 | FT-0609811 | J-019868 | MS-20146 | SY048483 | benzaldehyde, 2,4,5-trihydroxy- | 2,4,5-Trihydroxybenzaldehyde, 99% | DTXSID60349164 | T72345 | BDBM152419 | T1766 | 4,5-dihydroxy-salicylaldehyde | STL

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00016592 | WNCNWLVQSHZVKV-UHFFFAOYSA-N | BBL101094 | FT-0609811 | J-019868 | MS-20146 | SY048483 | benzaldehyde, 2, 4, 5-trihydroxy- | 2, 4, 5-Trihydroxybenzaldehyde, 99% | DTXSID60349164 | T72345 | BDBM152419 | T1766 | 4, 5-dihydroxy-salicylaldehyde | STL

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: C1=C(C(=CC(=C1O)O)O)C=O
• IUPAC Name: 2,4,5-trihydroxybenzaldehyde
• InChIKey: WNCNWLVQSHZVKV-UHFFFAOYSA-N
• INCHI: 1S/C7H6O4/c8-3-4-1-6(10)7(11)2-5(4)9/h1-3,9-11H
• Isómeros SMILES: C1=C(C(=CC(=C1O)O)O)C=O
• WGK Alemania: 3
• PubChem CID: 643387
• Peso molecular: 154.12
• Beilstein: 8(4)2715
• Reaxy-Rn: 2250084

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Benzenetriols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Benzenetriols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyquinols and derivatives
• Alternative Parents: Hydroxybenzaldehydes Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Hydroxyquinol derivative - Benzoyl - Benzaldehyde - 1-hydroxy-2-unsubstituted benzenoid - Aryl-aldehyde - Monocyclic benzene moiety - Vinylogous acid - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxyquinols and derivatives. These are compounds containing a 1,2,4-trihydroxybenzene moiety.
• 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

Objetivos asociados (humanos)

A549 (127892 Activities)

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T47D (39041 Activities)

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WiDr (1835 Activities)

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HeLa (62764 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive,Air Sensitive
• 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

Referencias

1. Yuan Xu, Zhicheng Deng, Yun Chen, Fang Fang Wu, Chao Huang, Yong Hu.  (2023)  Preparation and characterization of mussel-inspired hydrogels based on methacrylated catechol-chitosan and dopamine methacrylamide.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:36599382] [10.1016/j.ijbiomac.2022.12.303]