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

CAS: 13560-89-9 Cat. No.: D342339 분자식: C₁₈H₁₂Cl₁₂ 분자량: 653.72 Beilstein Registry Number: 2195908 EC 번호: 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

개요

Applications：

A chlorinated polycyclic compound as flame retardant and organochlorine pollutant.

Specifications

동의어

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,

사양 및 순도

Reagent Grade

보관 조건

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

배송

Ice chest + Ice pads

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등급

Reagent Grade

이름과 식별자

• Pubchem Sid: 504753328
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753328
• 정식 스마일: 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
• 이성체 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 번호: 2811
• 포장 그룹: III
• 분자량: 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
    • 분류 Vinyl halides
      • Subclass Vinyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: 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).
• 감도: Light sensitive；Moisture sensitive
• 끓는점(°C): ~599.84° C at 760 mmHg (Predicted)
• 녹는점(°C): >300° C
• 분자량: 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