4-(2-Fluorophenoxy)benzaldehyde - ≥98% , CAS No.936343-96-3

CAS: 936343-96-3 Cat. No.: F590786 Formule: C₁₃H₉FO₂ Poids moléculaire: 216.21

GRADE & PURITY ≥98%

Synonyms

AS-8726 | AKOS000260746 | PRSDBXRSXAZINP-UHFFFAOYSA-N | SCHEMBL510227 | DTXSID10445049 | 4-(2-fluorophenoxy)benzaldehyde | 4-(2-FLUORO-PHENOXY)-BENZALDEHYDE | F72208 | MFCD09026272

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

AS-8726 | AKOS000260746 | PRSDBXRSXAZINP-UHFFFAOYSA-N | SCHEMBL510227 | DTXSID10445049 | 4-(2-fluorophenoxy)benzaldehyde | 4-(2-FLUORO-PHENOXY)-BENZALDEHYDE | F72208 | MFCD09026272

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Sourires canoniques

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

IUPAC Name

4-(2-fluorophenoxy)benzaldehyde

InChIKey

PRSDBXRSXAZINP-UHFFFAOYSA-N

INCHI

1S/C13H9FO2/c14-12-3-1-2-4-13(12)16-11-7-5-10(9-15)6-8-11/h1-9H

Isomères SMILES

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

Poids moléculaire

216.21

Reaxy-Rn

7583021

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7583021&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Fluorobenzenes Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Benzaldehyde - Phenol ether - Benzoyl - Aryl-aldehyde - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Ether - Aldehyde - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 216.210 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.059 Da
• Monoisotopic Mass: 216.059 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 224.000
• 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