4-(4-Methylphenoxy)benzaldehyde - ≥97% , CAS No.61343-83-7

CAS: 61343-83-7 Cat. No.: M469446 Summenformel: H₃CC₆H₄OC₆H₄CHO Molekulargewicht: 212.24 EG-Nummer: 622-687-1

GRADE & PURITY ≥97%

Synonyms

E80298 | AS-8737 | AKOS000260259 | 4-(4-Methylphenoxy)benzaldehyde, 97% | 4-(4methylphenoxy)benzaldehyde | 4-(4'-methylphenoxy)benzaldehyde | 4-(4-Methylphenoxy)benzaldehyde | MFCD06496533 | DTXSID70406272 | 4-(p-Tolyloxy)benzaldehyde | CKNIKWIWRIHFSJ-UHF

Storage

Room temperature

Specifications

Synonyme

E80298 | AS-8737 | AKOS000260259 | 4-(4-Methylphenoxy)benzaldehyde, 97% | 4-(4methylphenoxy)benzaldehyde | 4-(4'-methylphenoxy)benzaldehyde | 4-(4-Methylphenoxy)benzaldehyde | MFCD06496533 | DTXSID70406272 | 4-(p-Tolyloxy)benzaldehyde | CKNIKWIWRIHFSJ-UHF

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488194985

Kanonisches Lächeln

CC1=CC=C(C=C1)OC2=CC=C(C=C2)C=O

IUPAC Name

4-(4-methylphenoxy)benzaldehyde

InChIKey

CKNIKWIWRIHFSJ-UHFFFAOYSA-N

INCHI

1S/C14H12O2/c1-11-2-6-13(7-3-11)16-14-8-4-12(10-15)5-9-14/h2-10H,1H3

Isomere SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)C=O

WGK Deutschland

2

Molekulargewicht

212.24

Reaxy-Rn

4401203

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4401203&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Toluenes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Benzoyl - Benzaldehyde - Aryl-aldehyde - Toluene - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): >230 °F
• Flammpunkt (°C): >110 °C
• Schmelzpunkt (°C): 47-51 °C
• Molekulargewicht: 212.240 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.084 Da
• Monoisotopic Mass: 212.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 211.000
• 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