decabromodiphenyl - analytical standard , CAS No.13654-09-6

CAS: 13654-09-6 Cat. No.: D115168 分子式: C₁₂Br₁₀ 分子量: 943.22 EC番号: 237-137-2

GRADE & PURITY Analytical standard

Synonyms

DECABROMOBIPHENYL|13654-09-6|Perbromobiphenyl|Decabromodiphenyl|1,1'-Biphenyl, 2,2',3,3',4,4',5,5',6,6'-decabromo-|MID95LP5LV|1,1'-Biphenyl,2,2',3,3',4,4',5,5',6,6'-decabromo-|Berkflam B 10|Biphenyl, decabromo-|Flammex B 10|Adine 0102|Decabromo-1,1'-biphe

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

同義語

DECABROMOBIPHENYL | 13654-09-6 | Perbromobiphenyl | Decabromodiphenyl | 1,1'-Biphenyl, 2,2',3,3',4,4',5,5',6,6'-decabromo- | MID95LP5LV | 1,1'-Biphenyl,2,2',3,3',4,4',5,5',6,6'-decabromo- | Berkflam B 10 | Biphenyl, decabromo- | Flammex B 10 | Adine 0102 | Decabromo-1,1'-biphe

仕様と純度

analytical standard

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

名前と識別子

• パブケム・シド: 528755100
• カノニカル・スマイル: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br
• IUPAC Name: 1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenyl)benzene
• InChIKey: AQPHBYQUCKHJLT-UHFFFAOYSA-N
• INCHI: 1S/C12Br10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
• 異性体SMILES: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br
• 分子量: 943.22
• Reaxy-Rn: 1894687
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1894687&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Brominated biphenyls
          • Level6 Polybrominated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Brominated biphenyls
• Direct Parent: Polybrominated biphenyls
• Alternative Parents: Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Polybrominated biphenyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by a bromine 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

• 分子量: 943.200 g/mol
• XLogP3: 10.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 943.173 Da
• Monoisotopic Mass: 933.183 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 326.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1