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

CAS: 2579-22-8 Cat. No.: P138572 Fórmula: C₆H₅C≡CCHO Peso molecular: 130.14 Beilstein Registry Number: 1099281 Número CE: 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

Sinónimos

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

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

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

Pureza

≥96%

Product Line

P138572-1g

Nomes e identificadores

Pubchem Sid

504754988

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754988

Sorrisos canónicos

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

SMILES isoméricas

C1=CC=C(C=C1)C#CC=O

WGK Alemanha

3

PubChem CID

75740

Peso molecular

130.14

Beilstein

1099281

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Heat sensitive；Air sensitive
• Índice de refração: 1.604
• Ponto de inflamação (°F): 201.2 °F
• Ponto de inflamação (°C): 94 °C
• Ponto de ebulição (°C): 118 °C
• Peso molecular: 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

Perguntas frequentes

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.