4,4′-Dichlorodiphenyl disulfide - ≥98% , CAS No.1142-19-4

CAS: 1142-19-4 Cat. No.: B101818 Peso molecular: 287.23 Número EC: 214-531-2

GRADE & PURITY ≥98%

Synonyms

AC-16467 | Bis(4-chlorophenyl) disulfide | InChI=1/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H | NMT539C7LN | NSC 32025 | 4,4'-Dichlorodiphenyl disulfide | AI3-16362 | DDDS | 1-chloro-4-(4-chlorophenyl)disulfanylbenzene | 1,2-bis(4-chlor

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Product introduction

Bis(4-chlorophenyl) disulphide can be synthesized from 4-chlorophenylthiol via oxidation. It produces poly(p-phenylene sulfide), via thermolysis. Bis(4-chlorophenyl) disulfide can also be prepared by a microwave assisted method involving the reaction between respective elemental sulfur and 1-chloro-4-iodobenzene in the presence of CuO nanopowder (catalyst).

Application

Bis(4-chlorophenyl) disulfide may be used to synthesize non-symmetrical heterodimer 4-chlorophenyl-2′-nitrophenyl disulfide.

Specifications

Sinónimos

AC-16467 | Bis(4-chlorophenyl) disulfide | InChI=1/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H | NMT539C7LN | NSC 32025 | 4, 4'-Dichlorodiphenyl disulfide | AI3-16362 | DDDS | 1-chloro-4-(4-chlorophenyl)disulfanylbenzene | 1, 2-bis(4-chlor

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1SSC2=CC=C(C=C2)Cl)Cl
• IUPAC Name: 1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene
• InChIKey: ZIXXRXGPBFMPFD-UHFFFAOYSA-N
• INCHI: 1S/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
• Isómeros SMILES: C1=CC(=CC=C1SSC2=CC=C(C=C2)Cl)Cl
• WGK Alemania: 3
• RTECS: JO0766000
• Peso molecular: 287.23
• Reaxy-Rn: 1644663
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1644663&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Organic disulfides Sulfenyl compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Organic disulfide - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Objetivos asociados (humanos)

FBP1 Tchem Fructose-1,6-bisphosphatase (1199 Activities)

Discover Target: FBP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de ebullición (°C): 180°C/2mmHg
• Punto de fusión (°C): 71-74°C
• Peso molecular: 287.200 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 285.944 Da
• Monoisotopic Mass: 285.944 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 175.000
• 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