Dechlorane A - Reagent Grade , CAS No.13560-89-9

CAS: 13560-89-9 Cat. No.: D342339 Fórmula: C₁₈H₁₂Cl₁₂ Peso molecular: 653.72 Beilstein Registry Number: 2195908 Número CE: 236-948-9

GRADE & PURITY Reagent Grade

Synonyms

4-05-00-01783 (Beilstein Handbook Reference) | Dodecachlorododecahydrodimethanodibenzocyclooctane | DTXSID7027750 | 1,4:7,10-Dimethanodibenzo(a,e)cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro- | 1,6,7,

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

Applications：

A chlorinated polycyclic compound as flame retardant and organochlorine pollutant.

Specifications

Sinónimos

4-05-00-01783 (Beilstein Handbook Reference) | Dodecachlorododecahydrodimethanodibenzocyclooctane | DTXSID7027750 | 1,4:7,10-Dimethanodibenzo(a,e)cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro- | 1,6,7,

Especificações e pureza

Reagent Grade

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Reagent Grade

Nomes e identificadores

• Pubchem Sid: 504753328
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753328
• Sorrisos canónicos: C1CC2C(CCC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl
• IUPAC Name: 1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
• InChIKey: UGQQAJOWXNCOPY-UHFFFAOYSA-N
• INCHI: 1S/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2
• SMILES isoméricas: C1CC2C(CCC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl
• RTECS: IO1430000
• Número UN: 2811
• Grupo de embalagem: III
• Peso molecular: 653.72
• Beilstein: 2195908
• Reaxy-Rn: 2195908
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2195908&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Vinyl halides
      • Subclass Vinyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Vinyl halides
• Subclass: Vinyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl chlorides
• Alternative Parents: Chloroalkenes Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Chloroalkene - Haloalkene - Vinyl chloride - Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in chloroform, o-dichlorobenzene, benzene (2.0 g/100g), xylene (1.0 g/100g), styrene (1.8 g/100g), trichloroethylene (1.4 g/100g), methylethylketone (0.7 g/100g), n-butyl acetate (0.7 g/100g), hexane (0.1 g/100g), and methyl alcohol (0.1 g/100g).
• Sensibilidade: Light sensitive；Moisture sensitive
• Ponto de ebulição (°C): ~599.84° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): >300° C
• Peso molecular: 653.700 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 653.711 Da
• Monoisotopic Mass: 647.72 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 782.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 8
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1