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

CAS: 181297-72-3 Cat. No.: B301033 Formule: C₁₃H₉ClO₂ Poids moléculaire: 232.67

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • 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 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
• 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

• Point d'ébullition (°C): 130-132°/0.05mm
• Point de fusion (°C): 35-37°
• Poids moléculaire: 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