pyrazine-2-carbaldehyde - ≥97% , CAS No.5780-66-5

CAS: 5780-66-5 Cat. No.: P176847 Formula: C₅H₄N₂O Molecular Weight: 108.1 EC Number: 691-235-3 PubChem CID: 11274980

GRADE & PURITY ≥97%

Synonyms

2-PYRAZINECARBALDEHYDE | Pyrazine-2-carboxaldehyde | BDBM92858 | DTXSID00460761 | EX42FX5JBS | PncA Inhibitor, 1 | pyrazine-2-carbaldehyde, AldrichCPR | 1,2-dihydro-2-oxo-4-pyridinecarboxaldehyde | 2-pyrazinecarboxaldehyde | Z1013412214 | A831615 | AM2007

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-PYRAZINECARBALDEHYDE | Pyrazine-2-carboxaldehyde | BDBM92858 | DTXSID00460761 | EX42FX5JBS | PncA Inhibitor, 1 | pyrazine-2-carbaldehyde, AldrichCPR | 1,2-dihydro-2-oxo-4-pyridinecarboxaldehyde | 2-pyrazinecarboxaldehyde | Z1013412214 | A831615 | AM2007

Specifications & Purity

≥97%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Pubchem Sid

488197351

Canonical Smiles

C1=CN=C(C=N1)C=O

IUPAC Name

pyrazine-2-carbaldehyde

InChIKey

DXBWJLDFSICTIH-UHFFFAOYSA-N

INCHI

1S/C5H4N2O/c8-4-5-3-6-1-2-7-5/h1-4H

Isomeric SMILES

C1=CN=C(C=N1)C=O

PubChem CID

11274980

Molecular Weight

108.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Pyrazines Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Pyrazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic 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

Chemical and Physical Properties

• Molecular Weight: 108.100 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 108.032 Da
• Monoisotopic Mass: 108.032 Da
• Topological Polar Surface Area: 42.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 84.500
• 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

Frequently Asked Questions

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 5780-66-5, the molecular formula is C5H4N2O, and the molecular weight is 108.1 g/mol. InChIKey DXBWJLDFSICTIH-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.