2-(3-chlorophenoxy)benzaldehyde - ≥95% , CAS No.181297-72-3

CAS: 181297-72-3 Cat. No.: B301033 Fórmula: C₁₃H₉ClO₂ Peso molecular: 232.67

GRADE & PURITY ≥95%

Synonyms

12N-067 | E76300 | A1-32724 | JEPWDAWNQGZIFB-UHFFFAOYSA-N | AKOS000260505 | MFCD01568769 | 2-(3-chlorophenoxy)benzaldehyde | 2-(3-chloro-phenoxy)-benzaldehyde | 2-(3-chlorophenoxy)benzenecarbaldehyde | DTXSID80376952 | SCHEMBL5319954

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

12N-067 | E76300 | A1-32724 | JEPWDAWNQGZIFB-UHFFFAOYSA-N | AKOS000260505 | MFCD01568769 | 2-(3-chlorophenoxy)benzaldehyde | 2-(3-chloro-phenoxy)-benzaldehyde | 2-(3-chlorophenoxy)benzenecarbaldehyde | DTXSID80376952 | SCHEMBL5319954

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

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

IUPAC Name

2-(3-chlorophenoxy)benzaldehyde

InChIKey

JEPWDAWNQGZIFB-UHFFFAOYSA-N

INCHI

1S/C13H9ClO2/c14-11-5-3-6-12(8-11)16-13-7-2-1-4-10(13)9-15/h1-9H

Isómeros SMILES

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

Peso molecular

232.67

Reaxy-Rn

10065525

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10065525&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 Benzaldehydes Chlorobenzenes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Benzaldehyde - Phenol ether - Benzoyl - Aryl-aldehyde - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Aldehyde - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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 ebullición (°C): 130-132°/0.05mm
• Punto de fusión (°C): 35-37°
• Peso molecular: 232.660 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.029 Da
• Monoisotopic Mass: 232.029 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 232.000
• 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