Bis(4-bromophenyl)acetylene - ≥98%(GC) , CAS No.2789-89-1

CAS: 2789-89-1 Cat. No.: B153028 Summenformel: C₁₄H₈Br₂ Molekulargewicht: 336.03

GRADE & PURITY ≥98%(GC)

Synonyms

Bis-(4-bromophenyl acetylene) | BBL103706 | Bis(4-bromophenyl)acetylene | A876844 | SCHEMBL1246271 | Benzene, 1,1'-(1,2-ethynediyl)bis[4-bromo- | 4,4'-dibromotolane | FJQGIJIHOXZMMJ-UHFFFAOYSA-N | 1,2-Bis(4-bromophenyl)ethyne | DTXSID80392718 | MFCD001851

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Bis-(4-bromophenyl acetylene) | BBL103706 | Bis(4-bromophenyl)acetylene | A876844 | SCHEMBL1246271 | Benzene, 1,1'-(1,2-ethynediyl)bis[4-bromo- | 4,4'-dibromotolane | FJQGIJIHOXZMMJ-UHFFFAOYSA-N | 1,2-Bis(4-bromophenyl)ethyne | DTXSID80392718 | MFCD001851

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488194414

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194414

Kanonisches Lächeln

C1=CC(=CC=C1C#CC2=CC=C(C=C2)Br)Br

IUPAC Name

1-bromo-4-[2-(4-bromophenyl)ethynyl]benzene

InChIKey

FJQGIJIHOXZMMJ-UHFFFAOYSA-N

INCHI

1S/C14H8Br2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H

Isomere SMILES

C1=CC(=CC=C1C#CC2=CC=C(C=C2)Br)Br

Molekulargewicht

336.03

Reaxy-Rn

2213320

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213320&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 185-189℃
• Molekulargewicht: 336.020 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 335.897 Da
• Monoisotopic Mass: 333.899 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 244.000
• 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