3,4-diidrossibenzaldeide - ≥98% , CAS No.139-85-5

CAS: 139-85-5 Cat. No.: D108634 Formula: C₇H₆O₃ Peso molecolare: 138.12 Beilstein Registry Number: 774381 Numero EC: 205-377-7

QUALITÀ & PUREZZA ≥98%

Synonyms

3,4-DHBAOP | 4,5-Dihydroxybenzaldehyde | NCGC00180319-01 | MEGxm0_000158 | PS-5533 | ACon1_001620 | UNII-4PVP2HCH4T | BCP00880 | EN300-17568 | STL146017 | Z56957508 | catechaldehyde | MFCD00003370 | s3952 | D-3480 | Q411602 | PROTOCATECHUALDEHYDE [MI] | 3

Storage

Argon caricato

Shipped In

Normale

Panoramica

la 3,4-diidrossibenzaldeide può essere utilizzata come reagente per la sintesi di:

- Copolimeri contenenti cromofori di poli(p-fenilenevinilene) da utilizzare in celle elettrochimiche ad emissione di luce.

- 2-Arilbenzotiazoli con potenziale applicazione come agenti antitumorali contro le cellule del cancro del colon umano.

- Vari sistemi di anelli tiazolidin-4-one con attività antimicrobica.

- Basi Bis-Schiff di isatine che possono essere utilizzate come agenti antiglicanti.

Specifiche

Sinonimi

3,4-DHBAOP | 4,5-Dihydroxybenzaldehyde | NCGC00180319-01 | MEGxm0_000158 | PS-5533 | ACon1_001620 | UNII-4PVP2HCH4T | BCP00880 | EN300-17568 | STL146017 | Z56957508 | catechaldehyde | MFCD00003370 | s3952 | D-3480 | Q411602 | PROTOCATECHUALDEHYDE [MI] | 3

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Argon caricato

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488180878

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180878

Sorrisi canonici

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

IUPAC Name

3,4-dihydroxybenzaldehyde

InChIKey

IBGBGRVKPALMCQ-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

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

WGK Germania

3

RTECS

UL0380000

Peso molecolare

138.12

Beilstein

774381

Reaxy-Rn

774381

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774381&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 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 - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: 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: an aryl aldehyde

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

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TYR Tclin Tyrosinase (717 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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KB (17409 Activities)

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HeLa (62764 Activities)

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SW1573 (1008 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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microRNA 21 (64692 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water(6.3g/L).Solubility in Methanol almost transparency.Soluble in ethanol
• Sensibilità: heat and air sensitive
• Punto di fusione (°C): 153-154°C
• Peso molecolare: 138.120 g/mol
• XLogP3: 1.300
• 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