Hexabromobenzene - ≥99% , CAS No.87-82-1

CAS: 87-82-1 Cat. No.: H114690 Formule: C₆Br₆ Poids moléculaire: 551.49 Beilstein Registry Number: 1912586 Numéro CE: 201-773-9

GRADE & PURITY ≥99%

Synonyms

HEXABROMOBENZENE [HSDB] | PLASAFETY HBB | Perbromobenzene | HXBBZ | NSC 113975 | NCGC00164035-01 | LS-13109 | FT-0626943 | UNII-T01859XWIR | DTXCID404128 | 1,2,3,4,5,6-Hexabromobenzene | H0363 | HEXABROMOBENZENE | AI3-60220 | Hexabromobenzene, PESTANAL(R)

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Hexabromobenzene is used as fire retardant in plastics, paper and electric manufactured goods. It undergoes protodebromination when treated with sodium methoxide in methanol and ethyl methyl ketone to give a mixture of tetrabromobenzenes.

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.The porphyrinogenic potential of hexabromobenzene (HBB) with hexachlorobenzene was studied in the liver of primiparous rats.

Specifications

Synonymes

HEXABROMOBENZENE [HSDB] | PLASAFETY HBB | Perbromobenzene | HXBBZ | NSC 113975 | NCGC00164035-01 | LS-13109 | FT-0626943 | UNII-T01859XWIR | DTXCID404128 | 1,2,3,4,5,6-Hexabromobenzene | H0363 | HEXABROMOBENZENE | AI3-60220 | Hexabromobenzene, PESTANAL(R)

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 488180198
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180198
• Sourires canoniques: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br
• IUPAC Name: 1,2,3,4,5,6-hexabromobenzene
• InChIKey: CAYGQBVSOZLICD-UHFFFAOYSA-N
• INCHI: 1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9
• Isomères SMILES: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br
• WGK Allemagne: 3
• Numéro ONU: 3077
• Groupe d'emballage: III
• Poids moléculaire: 551.49
• Beilstein: 1912586
• Reaxy-Rn: 1912586
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912586&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

Cibles associées (humaines)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility in hot Toluene almost transparency.
• Point de fusion (°C): >300°C
• Poids moléculaire: 551.500 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 551.504 Da
• Monoisotopic Mass: 545.51 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 104.000
• 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