4-Bromobiphenyl - analytical standard , CAS No.92-66-0

CAS: 92-66-0 Cat. No.: B110579 Summenformel: C₁₂H₉Br Molekulargewicht: 233.1 Beilstein Registry Number: 1907453 EG-Nummer: 202-176-6

GRADE & PURITY Analytical standard

Synonyms

InChI=1/C12H9Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9 | 4-bromo biphenyl | PBB-No. 3 10 microg/mL in Cyclohexane | p-Bromobiphenyl | Q27285606 | p-mono-bromobiphenyl | 1-bromanyl-4-phenyl-benzene | PBB No. 3 | EINECS 202-176-6 | NSC 406933 | 4-Bipheny

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

InChI=1/C12H9Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9 | 4-bromo biphenyl | PBB-No. 3 10 microg/mL in Cyclohexane | p-Bromobiphenyl | Q27285606 | p-mono-bromobiphenyl | 1-bromanyl-4-phenyl-benzene | PBB No. 3 | EINECS 202-176-6 | NSC 406933 | 4-Bipheny

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

• Pubchem Sid: 528760704
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528760704
• Kanonisches Lächeln: C1=CC=C(C=C1)C2=CC=C(C=C2)Br
• IUPAC Name: 1-bromo-4-phenylbenzene
• InChIKey: PKJBWOWQJHHAHG-UHFFFAOYSA-N
• INCHI: 1S/C12H9Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
• Isomere SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)Br
• WGK Deutschland: 3
• RTECS: DV1750100
• UN-Nummer: 3152
• Verpackungsgruppe: II
• Molekulargewicht: 233.1
• Beilstein: 1907453
• Reaxy-Rn: 1907453
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907453&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Brominated biphenyls
• Alternative Parents: Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Brominated biphenyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as brominated biphenyls. These are organic compounds containing a biphenyl moiety substituted at one or more 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): >212 °F
• Flammpunkt (°C): 144℃
• Siedepunkt (°C): 310°C
• Schmelzpunkt (°C): 91.2°C
• Molekulargewicht: 233.100 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 231.989 Da
• Monoisotopic Mass: 231.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 141.000
• 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

Referenzen

1. Lubin Xie, Qianjin Fei, Ming Su, Yunbing Tang, Yang Zhu, Ren-shan Ge, Ping Duan, Chengshuang Pan.  (2026)  Disruption of progesterone synthesis by PBDEs: Potent inhibition of human and rat placental 3β-hydroxysteroid dehydrogenase by the metabolite 4-Bromodiphenyl ether.  TOXICOLOGY AND APPLIED PHARMACOLOGY,      [PMID:] [10.1016/j.taap.2026.117989]