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

CAS: 21567-18-0 Cat. No.: C132722 Molecular Weight: 220.65 Beilstein Registry Number: 6(3)4396 EC Number: 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

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

Specifications & Purity

≥95%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(GC)

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CC=C1O)OC2=CC=C(C=C2)Cl
• WGK Germany: 3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Heat & Moisture & Light sensitive
• Melt Point(°C): 80-85°C
• Molecular Weight: 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