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

CAS: 3085-42-5 Cat. No.: C153549 Formule: C₁₂H₈Cl₂OS Poids moléculaire: 271.16 Beilstein Registry Number: 6(4)1587 Numéro 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

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 504752880
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752880
• Sourires canoniques: 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
• Isomères SMILES: C1=CC(=CC=C1S(=O)C2=CC=C(C=C2)Cl)Cl
• RTECS: WS2275000
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 143 °C
• Poids moléculaire: 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

Références

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]