4-(4-Formylphenoxy)benzonitrile - ≥96% , CAS No.90178-71-5

CAS: 90178-71-5 Cat. No.: F468224 Peso molecular: 223.23 Número EC: 623-095-6

GRADE & PURITY ≥96%

Synonyms

W17758 | SCHEMBL505351 | 4-[4-Cyanophenoxy]benzaldehyde | 4-(4-Cyano-phenoxy)-benzaldehyde | 4-(4-Formylphenoxy)benzonitrile # | EN300-7360813 | MFCD08276813 | AKOS000260457 | FT-0715557 | DTXSID40346651 | Z335440822 | 4-(4-Formylphenoxy)benzonitrile, 96%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

W17758 | SCHEMBL505351 | 4-[4-Cyanophenoxy]benzaldehyde | 4-(4-Cyano-phenoxy)-benzaldehyde | 4-(4-Formylphenoxy)benzonitrile # | EN300-7360813 | MFCD08276813 | AKOS000260457 | FT-0715557 | DTXSID40346651 | Z335440822 | 4-(4-Formylphenoxy)benzonitrile, 96%

Especificaciones y pureza

≥96%

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

≥96%

Nombres e identificadores

• Pubchem Sid: 488190745
• Sonrisas canónicas: C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)C#N
• IUPAC Name: 4-(4-formylphenoxy)benzonitrile
• InChIKey: PYODQZCRZBCXPW-UHFFFAOYSA-N
• INCHI: 1S/C14H9NO2/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8,10H
• Isómeros SMILES: C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)C#N
• WGK Alemania: 3
• Peso molecular: 223.23
• Reaxy-Rn: 5017546
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5017546&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Benzoyl derivatives Benzonitriles Benzaldehydes Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Benzaldehyde - Phenoxy compound - Benzonitrile - Benzoyl - Phenol ether - Aryl-aldehyde - Ether - Carbonitrile - Nitrile - Aldehyde - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

• Punto de fusión (°C): 88-93 °C
• Peso molecular: 223.230 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 223.063 Da
• Monoisotopic Mass: 223.063 Da
• Topological Polar Surface Area: 50.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 291.000
• 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