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

CAS: 13560-89-9 Cat. No.: D342339 分子式: C₁₈H₁₂Cl₁₂ 分子量: 653.72 Beilstein Registry Number: 2195908 EC番号: 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

概要

Applications：

A chlorinated polycyclic compound as flame retardant and organochlorine pollutant.

Specifications

同義語

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,

仕様と純度

Reagent Grade

保管条件

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

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Reagent Grade

名前と識別子

• パブケム・シド: 504753328
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504753328
• カノニカル・スマイル: 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
• 異性体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
• UN番号: 2811
• 包装グループ: III
• 分子量: 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
    • 分類 Vinyl halides
      • Subclass Vinyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: 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).
• 感度: Light sensitive；Moisture sensitive
• 沸点（°C）: ~599.84° C at 760 mmHg (Predicted)
• 融点（°C）: >300° C
• 分子量: 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