Pyrazole-3-carboxaldehyde - ≥98% , CAS No.3920-50-1

CAS: 3920-50-1 Cat. No.: P140216 Fórmula: C₄H₄N₂O Peso molecular: 96.09 Número EC: 630-982-1

CALIDAD & PUREZA ≥98%

Synonyms

3-formylpyrazole | O10411 | pyrazol-3-carboxaldehyde | Z234896951 | 1H-Pyrazole-5-carbaldehyde, AldrichCPR | AKOS005145964 | Butorfanol (INN-Spanish) | GS-5722 | pyrazole-5-aldehyde | 1H-Pyrazole-3-carbaldehyde,dimer | AM20100032 | 1H-pyrazole-5-carbaldeh

Storage

Argon charged,Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

3-formylpyrazole | O10411 | pyrazol-3-carboxaldehyde | Z234896951 | 1H-Pyrazole-5-carbaldehyde, AldrichCPR | AKOS005145964 | Butorfanol (INN-Spanish) | GS-5722 | pyrazole-5-aldehyde | 1H-Pyrazole-3-carbaldehyde,dimer | AM20100032 | 1H-pyrazole-5-carbaldeh

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488197958

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197958

Sonrisas canónicas

C1=C(NN=C1)C=O

IUPAC Name

1H-pyrazole-5-carbaldehyde

InChIKey

ICFGFAUMBISMLR-UHFFFAOYSA-N

INCHI

1S/C4H4N2O/c7-3-4-1-2-5-6-4/h1-3H,(H,5,6)

Isómeros SMILES

C1=C(NN=C1)C=O

Peso molecular

96.09

Reaxy-Rn

636051

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636051&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 151 °C
• Peso molecular: 96.090 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 96.0324 Da
• Monoisotopic Mass: 96.0324 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 74.100
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 3920-50-1, the molecular formula is C4H4N2O, and the molecular weight is 96.09 g/mol. InChIKey ICFGFAUMBISMLR-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.