2-Hydroxynicotinaldehyde - ≥97% , CAS No.36404-89-4

CAS: 36404-89-4 Cat. No.: H169926 Fórmula: C₆H₅NO₂ Peso molecular: 123.11 Número CE: 832-180-9

GRADE & PURITY ≥97%

Synonyms

AC-23747 | SY021292 | AB55041 | DNTYEVWEOFZXFE-UHFFFAOYSA-N | 2-Hydroxy-pyridine-3-carbaldehyde | 2-oxo-1,2-dihydro-pyridine-3-carbaldehyde | 2-oxo-1,2-dihydropyridine-3-carbaldehyde | MFCD00023766 | DTXSID10427668 | SCHEMBL1413944 | hydroxynicotinaldehyd

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

AC-23747 | SY021292 | AB55041 | DNTYEVWEOFZXFE-UHFFFAOYSA-N | 2-Hydroxy-pyridine-3-carbaldehyde | 2-oxo-1,2-dihydro-pyridine-3-carbaldehyde | 2-oxo-1,2-dihydropyridine-3-carbaldehyde | MFCD00023766 | DTXSID10427668 | SCHEMBL1413944 | hydroxynicotinaldehyd

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Desiccated

Enviado em

Wet ice

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

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504764697

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764697

Sorrisos canónicos

C1=CNC(=O)C(=C1)C=O

IUPAC Name

2-oxo-1H-pyridine-3-carbaldehyde

InChIKey

DNTYEVWEOFZXFE-UHFFFAOYSA-N

INCHI

1S/C6H5NO2/c8-4-5-2-1-3-7-6(5)9/h1-4H,(H,7,9)

SMILES isoméricas

C1=CNC(=O)C(=C1)C=O

Peso molecular

123.11

Reaxy-Rn

1446702

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1446702&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridine carboxaldehydes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Pyridinones Dihydropyridines Aryl-aldehydes Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridine carboxaldehyde - Dihydropyridine - Pyridinone - Aryl-aldehyde - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde 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

• Sensibilidade: moisture sensitive
• Ponto de fusão (°C): 223°C
• Peso molecular: 123.110 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.032 Da
• Monoisotopic Mass: 123.032 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 203.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 36404-89-4, the molecular formula is C6H5NO2, and the molecular weight is 123.11 g/mol. InChIKey DNTYEVWEOFZXFE-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.