(4-[4-(Trifluoromethyl)Phenoxy]Phenyl)Sulfonylchloride - ≥95% , CAS No.214353-91-0

CAS: 214353-91-0 Cat. No.: P708640 Peso molecular: 336.71 PubChem CID: 3326047

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C(F)(F)F)OC2=CC=C(C=C2)S(=O)(=O)Cl
• IUPAC Name: 4-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride
• InChIKey: QODMBCGXOCMXKY-UHFFFAOYSA-N
• INCHI: 1S/C13H8ClF3O3S/c14-21(18,19)12-7-5-11(6-8-12)20-10-3-1-9(2-4-10)13(15,16)17/h1-8H
• Isómeros SMILES: C1=CC(=CC=C1C(F)(F)F)OC2=CC=C(C=C2)S(=O)(=O)Cl
• CAS alternativo: 214353-91-0
• PubChem CID: 3326047
• Peso molecular: 336.71

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 Trifluoromethylbenzenes Benzenesulfonyl chlorides Phenoxy compounds Phenol ethers Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Trifluoromethylbenzene - Benzenesulfonyl chloride - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Ether - Alkyl fluoride - Organic oxide - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Organic oxygen compound - Hydrocarbon derivative - 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

• Peso molecular: 336.710 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 335.983 Da
• Monoisotopic Mass: 335.983 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 431.000
• 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