4-Hydroxybenzaldehyde-d4 - ≥98%(CP),≥98 atom% D , CAS No.284474-52-8

CAS: 284474-52-8 Cat. No.: H757098 Fórmula: C ₇H₂D₄O₂ Peso molecular: 126.15 Número CE: 106-383-1

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

p-Hydroxybenzaldehyde-d4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

p-Hydroxybenzaldehyde-d4 is the deuterium labeled p-Hydroxybenzaldehyde. p-Hydroxybenzaldehyde is a one of the major components in Dendrocalamus asper bamboo shoots, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations.

Specifications

Sinónimos

p-Hydroxybenzaldehyde-d4

Especificações e pureza

≥98%(CP),≥98 atom% D

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

ANTAGONIST

Pureza

≥98%(CP),≥98 atom% D

Nomes e identificadores

• Pubchem Sid: 528761007
• Sorrisos canónicos: C1=CC(=CC=C1C=O)O
• IUPAC Name: 2,3,5,6-tetradeuterio-4-hydroxybenzaldehyde
• InChIKey: RGHHSNMVTDWUBI-RHQRLBAQSA-N
• INCHI: 1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H/i1D,2D,3D,4D
• SMILES isoméricas: [2H]C1=C(C(=C(C(=C1C=O)[2H])[2H])O)[2H]
• CAS alternativo: 284474-52-8;123-08-0(unlabelled)
• Peso molecular: 126.15
• Reaxy-Rn: 471352
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471352&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: Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: 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: 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

Propriedades químicas e físicas

• Peso molecular: 126.150 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.062 Da
• Monoisotopic Mass: 126.062 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 93.100
• Isotope Atom Count: 4
• 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