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

CAS: 13560-89-9 Cat. No.: D342339 Formule: C₁₈H₁₂Cl₁₂ Poids moléculaire: 653.72 Beilstein Registry Number: 2195908 Numéro 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

Vue d’ensemble

Applications：

A chlorinated polycyclic compound as flame retardant and organochlorine pollutant.

Specifications

Synonymes

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,

Spécifications et pureté

Reagent Grade

Conditions de stockage de stockage

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

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Reagent Grade

Noms et identifiants

• Pubchem Sid: 504753328
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753328
• Sourires canoniques: 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
• Isomères SMILES: 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
• Numéro ONU: 2811
• Groupe d'emballage: III
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: 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).
• Sensibilité: Light sensitive；Moisture sensitive
• Point d'ébullition (°C): ~599.84° C at 760 mmHg (Predicted)
• Point de fusion (°C): >300° C
• Poids moléculaire: 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