2-(Phenylethynyl)benzaldehyde - ≥95% , CAS No.59046-72-9

CAS: 59046-72-9 Cat. No.: P665411 Fórmula: C₁₅H₁₀O Peso molecular: 206.24 Número EC: 806-030-8 PubChem CID: 10013210

CALIDAD & PUREZA ≥95%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificaciones

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

528756157

Sonrisas canónicas

C1=CC=C(C=C1)C#CC2=CC=CC=C2C=O

IUPAC Name

2-(2-phenylethynyl)benzaldehyde

InChIKey

SDSQNHMKRHPAIM-UHFFFAOYSA-N

INCHI

1S/C15H10O/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9,12H

Isómeros SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2C=O

CAS alternativo

59046-72-9

PubChem CID

10013210

Peso molecular

206.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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 and heat sensitive
• Punto de inflamación (°C): 163 °C
• Peso molecular: 206.240 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 206.073 Da
• Monoisotopic Mass: 206.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 287.000
• 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