Bis(2,4,5-trichlorophenyl) Disulfide - ≥95%(GC) , CAS No.3808-87-5

CAS: 3808-87-5 Cat. No.: B152505 Summenformel: C₁₂H₄Cl₆S₂ Molekulargewicht: 424.98 EG-Nummer: 223-279-2

GRADE & PURITY ≥95%(GC)

Synonyms

2,4,5-Trichlorophenyl disulfide | di(2,4,5-trichlorophenyl) disulfide | NSC 238936 | Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl ester | Bis(2,4,5-trichlorophenyl) disulfide | bis-(2,4,5-trichlorophenyl)-disulfide | Bis

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2,4,5-Trichlorophenyl disulfide | di(2,4,5-trichlorophenyl) disulfide | NSC 238936 | Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl ester | Bis(2,4,5-trichlorophenyl) disulfide | bis-(2,4,5-trichlorophenyl)-disulfide | Bis

Spezifikationen & Reinheit

≥95%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%(GC)

Namen und Kennungen

Pubchem Sid

528770433

Kanonisches Lächeln

C1=C(C(=CC(=C1Cl)Cl)Cl)SSC2=CC(=C(C=C2Cl)Cl)Cl

IUPAC Name

1,2,4-trichloro-5-[(2,4,5-trichlorophenyl)disulfanyl]benzene

InChIKey

ZUVJVEOHQKNMPN-UHFFFAOYSA-N

INCHI

1S/C12H4Cl6S2/c13-5-1-9(17)11(3-7(5)15)19-20-12-4-8(16)6(14)2-10(12)18/h1-4H

Isomere SMILES

C1=C(C(=CC(=C1Cl)Cl)Cl)SSC2=CC(=C(C=C2Cl)Cl)Cl

Molekulargewicht

424.98

Reaxy-Rn

2014047

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2014047&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 147 °C
• Molekulargewicht: 425.000 g/mol
• XLogP3: 7.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 423.786 Da
• Monoisotopic Mass: 421.789 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 290.000
• 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