4-Phenoxybenzaldehyde - ≥98%(GC) , CAS No.67-36-7

CAS: 67-36-7 Cat. No.: P160746 Fórmula: C₁₃H₁₀O₂ Peso molecular: 198.22 Número EC: 200-650-7 PubChem CID: 66139

GRADE & PURITY ≥98%(GC)

Synonyms

AR1919 | Benzaldehyde, p-phenoxy- | 4-(phenyloxy)benzaldehyde | Z104479070 | 4-08-00-00257 (Beilstein Handbook Reference) | W-104718 | 4-Phenoxybenzaldehyde | 4-Phenoxy-benzaldehyde | AI3-62192 | 4-phenyloxybenzaldehyde | Benzaldehyde, 4-phenoxy- | AMY879

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

4-Phenoxybenzaldehyde was used in the synthesis of: · spirodiketopiperazine derivatives · benzoxazoles

Specifications

Sinónimos

AR1919 | Benzaldehyde, p-phenoxy- | 4-(phenyloxy)benzaldehyde | Z104479070 | 4-08-00-00257 (Beilstein Handbook Reference) | W-104718 | 4-Phenoxybenzaldehyde | 4-Phenoxy-benzaldehyde | AI3-62192 | 4-phenyloxybenzaldehyde | Benzaldehyde, 4-phenoxy- | AMY879

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488183741
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183741
• Sonrisas canónicas: C1=CC=C(C=C1)OC2=CC=C(C=C2)C=O
• IUPAC Name: 4-phenoxybenzaldehyde
• InChIKey: QWLHJVDRPZNVBS-UHFFFAOYSA-N
• INCHI: 1S/C13H10O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H
• Isómeros SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C=O
• WGK Alemania: 3
• RTECS: CU7560000
• PubChem CID: 66139
• Peso molecular: 198.22
• Reaxy-Rn: 1947841

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 Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Benzoyl - Benzaldehyde - Aryl-aldehyde - Ether - 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 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

Objetivos asociados (humanos)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 185 °C/14 mmHg
• Punto de fusión (°C): 25 °C
• Peso molecular: 198.220 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.068 Da
• Monoisotopic Mass: 198.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 189.000
• 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