trans,trans,trans-1,5,9-Cyclododecatriene(ttt-cdt) - ≥99% , CAS No.676-22-2

CAS: 676-22-2 Cat. No.: T333404 Peso molecular: 162.27 Número EC: 211-626-0

GRADE & PURITY ≥99%

Synonyms

cyclododecatriene-1,5,9 | DTXSID8027581 | NCGC00254420-01 | cis,cis,cis-Cyclododeca-1,5,9-triene | Q161541 | trans,trans,cis-1,5,9-Cyclododecatriene | Tox21_300401 | AI3-26695 | trans,trans,trans-1,5,9-Cyclododecatriene | W-109148 | CDT (VAN) | (Z,Z,Z)-Cy

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

trans,trans,trans-1,5,9-Cyclododecatriene (ttt-cdt) acts as ligand and forms rare copper complexes. Photorearrangements of CuCl complexes of ttt-cdt has been investigated.

Specifications

Sinónimos

cyclododecatriene-1, 5, 9 | DTXSID8027581 | NCGC00254420-01 | cis, cis, cis-Cyclododeca-1, 5, 9-triene | Q161541 | trans, trans, cis-1, 5, 9-Cyclododecatriene | Tox21_300401 | AI3-26695 | trans, trans, trans-1, 5, 9-Cyclododecatriene | W-109148 | CDT (VAN) | (Z, Z, Z)-Cy

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1CC=CCCC=CCCC=C1
• IUPAC Name: (1Z,5Z,9Z)-cyclododeca-1,5,9-triene
• InChIKey: ZOLLIQAKMYWTBR-MOLCZBCNSA-N
• INCHI: 1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7-,10-8-
• Isómeros SMILES: C1/C=C\CC/C=C\CC/C=C\C1
• WGK Alemania: 3
• Número ONU: 1759
• Grupo de embalaje: III
• Peso molecular: 162.27
• Reaxy-Rn: 1903719
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903719&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Unsaturated hydrocarbons
      • Subclass Olefins

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic olefins
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic olefin - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclic olefins. These are olefins that contain at least one ring in their structure.
• 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

• Punto de inflamación (°F): 163.4 °F
• Punto de inflamación (°C): 73 °C
• Punto de ebullición (°C): 237-238 °C
• Punto de fusión (°C): 29-38℃
• Peso molecular: 162.270 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 162.141 Da
• Monoisotopic Mass: 162.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 121.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1