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

CAS: 13654-09-6 Cat. No.: D115168 Formula: C₁₂Br₁₀ Peso molecolare: 943.22 Numero EC: 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

Sinonimi

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

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Grado

Standard analitico

Nomi e identificatori

• Pubchem Sid: 528755100
• Sorrisi canonici: 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
• Isomeri SMILES: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Brominated biphenyls
          • Level6 Polybrominated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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