3,5-Dibromo-biphenyl - ≥98% , CAS No.16372-96-6

CAS: 16372-96-6 Cat. No.: D305098 Formula: C₁₂H₈Br₂ Peso molecolare: 312

QUALITÀ & PUREZZA ≥98%

Synonyms

3,5-Dibromo-1,1'-biphenyl|16372-96-6|3,5-dibromobiphenyl|1,1'-Biphenyl, 3,5-dibromo-|3,5-Dibromo-biphenyl|3,5-DIBROMO-1-PHENYL BENZENE|1,3-dibromo-5-phenylbenzene|UNII-17D2L51J63|17D2L51J63|3,5-Dibromo-biphenyl, 98%|CHEMBL449772|PBB 14|SCHEMBL1562747|DTXS

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifiche

Sinonimi

3,5-Dibromo-1,1'-biphenyl | 16372-96-6 | 3,5-dibromobiphenyl | 1,1'-Biphenyl, 3,5-dibromo- | 3,5-Dibromo-biphenyl | 3,5-DIBROMO-1-PHENYL BENZENE | 1,3-dibromo-5-phenylbenzene | UNII-17D2L51J63 | 17D2L51J63 | 3,5-Dibromo-biphenyl, 98% | CHEMBL449772 | PBB 14 | SCHEMBL1562747 | DTXS

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504762299

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762299

Sorrisi canonici

C1=CC=C(C=C1)C2=CC(=CC(=C2)Br)Br

IUPAC Name

1,3-dibromo-5-phenylbenzene

InChIKey

HIHYAKDOWUFGBK-UHFFFAOYSA-N

INCHI

1S/C12H8Br2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H

Isomeri SMILES

C1=CC=C(C=C1)C2=CC(=CC(=C2)Br)Br

Peso molecolare

312

Reaxy-Rn

2252549

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2252549&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

Obiettivi associati (umani)

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

Obiettivi associati (non umani)

Ttr Transthyretin (14 Activities)

Discover Target: Ttr

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 312.000 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 311.897 Da
• Monoisotopic Mass: 309.899 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 165.000
• 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