Phenylpropargyl aldehyde - ≥96% , CAS No.2579-22-8

CAS: 2579-22-8 Cat. No.: P138572 Summenformel: C₆H₅C≡CCHO Molekulargewicht: 130.14 Beilstein Registry Number: 1099281 EG-Nummer: 219-942-0 PubChem CID: 75740

GRADE & PURITY ≥96%

Synonyms

AKOS015888243 | AS-15694 | BP-10874 | 3-Phenylpropynal | DTXSID80180455 | Phenylpropargyl aldehyde, 96% | MFCD00006995 | InChI=1/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8 | Phenylpropiolaldehyde | A818028 | Propiolaldehyde, phenyl- | UNII-88Z0CKE07W | (2,3

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

AKOS015888243 | AS-15694 | BP-10874 | 3-Phenylpropynal | DTXSID80180455 | Phenylpropargyl aldehyde, 96% | MFCD00006995 | InChI=1/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8 | Phenylpropiolaldehyde | A818028 | Propiolaldehyde, phenyl- | UNII-88Z0CKE07W | (2,3

Spezifikationen & Reinheit

≥96%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 504754988
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754988
• Kanonisches Lächeln: C1=CC=C(C=C1)C#CC=O
• IUPAC Name: 3-phenylprop-2-ynal
• InChIKey: IDASOVSVRKONFS-UHFFFAOYSA-N
• INCHI: 1S/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H
• Isomere SMILES: C1=CC=C(C=C1)C#CC=O
• WGK Deutschland: 3
• PubChem CID: 75740
• Molekulargewicht: 130.14
• Beilstein: 1099281

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Ynals Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Ynal - Alpha,beta-unsaturated aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: Heat sensitive；Air sensitive
• Brechungsindex: 1.604
• Flammpunkt (°F): 201.2 °F
• Flammpunkt (°C): 94 °C
• Siedepunkt (°C): 118 °C
• Molekulargewicht: 130.139 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 130.042 Da
• Monoisotopic Mass: 130.042 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 164.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥96% 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 2579-22-8, the molecular formula is C9H6O, and the molecular weight is 130.14 g/mol. InChIKey IDASOVSVRKONFS-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.