4-Chloro-4'-hydroxydiphenyl Ether - ≥95%(GC) , CAS No.21567-18-0

CAS: 21567-18-0 Cat. No.: C132722 Formula: C₁₂H₉ClO₂ Peso molecolare: 220.65 Beilstein Registry Number: 6(3)4396 Numero EC: 627-497-2

GRADE & PURITY ≥95%(GC)

Synonyms

4-Hydroxy-4`-chloro-diphenylether | FT-0645194 | SC3961 | C2335 | Phenol, 4-(4-chlorophenoxy)- | 4-Hydroxy-4-chloro-diphenylether;4-Chloro-4'-hydroxydiphenyl ether | 4-Hydroxy-4'-chloro-diphenylether | p-(p-chlorophenoxy)phenol | p-(p-chlorophenoxy)-pheno

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

4-Hydroxy-4`-chloro-diphenylether | FT-0645194 | SC3961 | C2335 | Phenol, 4-(4-chlorophenoxy)- | 4-Hydroxy-4-chloro-diphenylether;4-Chloro-4'-hydroxydiphenyl ether | 4-Hydroxy-4'-chloro-diphenylether | p-(p-chlorophenoxy)phenol | p-(p-chlorophenoxy)-pheno

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥95%(GC)

Nomi e identificatori

• Pubchem Sid: 508809492
• Sorrisi canonici: C1=CC(=CC=C1O)OC2=CC=C(C=C2)Cl
• IUPAC Name: 4-(4-chlorophenoxy)phenol
• InChIKey: XQMRZWSYBUCVAX-UHFFFAOYSA-N
• INCHI: 1S/C12H9ClO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H
• Isomeri SMILES: C1=CC(=CC=C1O)OC2=CC=C(C=C2)Cl
• WGK Germania: 3
• Peso molecolare: 220.65
• Beilstein: 6(3)4396
• Reaxy-Rn: 1912154
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912154&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 Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Heat & Moisture & Light sensitive
• Punto di fusione (°C): 80-85°C
• Peso molecolare: 220.650 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 220.029 Da
• Monoisotopic Mass: 220.029 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 182.000
• 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