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

CAS: 3920-50-1 Cat. No.: P140216 Summenformel: C₄H₄N₂O Molekulargewicht: 96.09 EG-Nummer: 630-982-1

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488197958

Pubchem Sid Url

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

Kanonisches Lächeln

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)

Isomere SMILES

C1=C(NN=C1)C=O

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Aldehydes
          • Ebene6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 151 °C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.