4-Chlorophenyl Sulfoxide - ≥98%(GC) , CAS No.3085-42-5

CAS: 3085-42-5 Cat. No.: C153549 Fórmula: C₁₂H₈Cl₂OS Peso molecular: 271.16 Beilstein Registry Number: 6(4)1587 Número CE: 221-397-9

GRADE & PURITY ≥98%(GC)

Synonyms

p,p'-Dichlorodiphenyl sulfoxide | Benzene, 1,1'-sulfinylbis(4-chloro- | J573M24A77 | FT-0623032 | AS-17370 | 4,4'-Dichlorodiphenylsulfoxide | J-018166 | 4,4'-Sulfinylbis(chlorobenzene) | InChI=1/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

p,p'-Dichlorodiphenyl sulfoxide | Benzene, 1,1'-sulfinylbis(4-chloro- | J573M24A77 | FT-0623032 | AS-17370 | 4,4'-Dichlorodiphenylsulfoxide | J-018166 | 4,4'-Sulfinylbis(chlorobenzene) | InChI=1/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 504752880
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752880
• Sorrisos canónicos: C1=CC(=CC=C1S(=O)C2=CC=C(C=C2)Cl)Cl
• IUPAC Name: 1-chloro-4-(4-chlorophenyl)sulfinylbenzene
• InChIKey: KJGYFISADIZFEL-UHFFFAOYSA-N
• INCHI: 1S/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H
• SMILES isoméricas: C1=CC(=CC=C1S(=O)C2=CC=C(C=C2)Cl)Cl
• RTECS: WS2275000
• Peso molecular: 271.16
• Beilstein: 6(4)1587
• Reaxy-Rn: 2051256
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051256&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenyl sulfoxides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenyl sulfoxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl sulfoxides
• Alternative Parents: Chlorobenzenes Aryl chlorides Sulfoxides Sulfinyl compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl sulfoxide - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Sulfoxide - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 143 °C
• Peso molecular: 271.200 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 269.967 Da
• Monoisotopic Mass: 269.967 Da
• Topological Polar Surface Area: 36.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 219.000
• 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

Referências

1. Chen Lei, Li Rongxin, Li Yuanlong, Shu Qijiang, Yang Tao.  (2023)  The comparing on the adsorption/desorption of Pd(II) and Pt(IV) ions by using 4-chlorophenyl sulfoxide modified the reduced graphene oxide composite.  CHEMICAL PAPERS,  77  (11): (6637-6646).  [PMID:] [10.1007/s11696-023-02964-4]