Bis(4-chlorophenyl) Sulfide - ≥97% , CAS No.5181-10-2

CAS: 5181-10-2 Cat. No.: B404127 Fórmula: C₁₂H₈Cl₂S Peso molecular: 255.16 Número EC: 878-412-2

GRADE & PURITY ≥97%

Synonyms

4,4-dimethyl-5-oxovaleronitrile | NSC 40470 | Bis(p-chlorophenyl)sulfide | MFCD00496609 | MJEPOVIWHVRBIT-UHFFFAOYSA-N | 1-Chloro-4-[(4-chlorophenyl)sulfanyl]benzene | Benzene,1'-thiobis[4-chloro- | Methyl 5-methyl-1-phenyl-4-pyrazolyl ketone | Benzene, 1,

Storage

Argon charged,Room temperature

Specifications

Sinónimos

4,4-dimethyl-5-oxovaleronitrile | NSC 40470 | Bis(p-chlorophenyl)sulfide | MFCD00496609 | MJEPOVIWHVRBIT-UHFFFAOYSA-N | 1-Chloro-4-[(4-chlorophenyl)sulfanyl]benzene | Benzene,1'-thiobis[4-chloro- | Methyl 5-methyl-1-phenyl-4-pyrazolyl ketone | Benzene, 1,

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504755320
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755320
• Sonrisas canónicas: C1=CC(=CC=C1SC2=CC=C(C=C2)Cl)Cl
• IUPAC Name: 1-chloro-4-(4-chlorophenyl)sulfanylbenzene
• InChIKey: MJEPOVIWHVRBIT-UHFFFAOYSA-N
• INCHI: 1S/C12H8Cl2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
• Isómeros SMILES: C1=CC(=CC=C1SC2=CC=C(C=C2)Cl)Cl
• RTECS: WQ1200000
• Peso molecular: 255.16
• Reaxy-Rn: 1875177
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1875177&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Thiophenol ethers Chlorobenzenes Aryl chlorides Sulfenyl compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diarylthioether - Thiophenol ether - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Sulfenyl compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• 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

• Sensibilidad: Moisture Sensitive
• Punto de fusión (°C): 96 °C
• Peso molecular: 255.200 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 253.972 Da
• Monoisotopic Mass: 253.972 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 162.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5181-10-2, the molecular formula is C12H8Cl2S, and the molecular weight is 255.16 g/mol. InChIKey MJEPOVIWHVRBIT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.