Bis(4-bromophenyl)acetylene - CAS 2789-89-1
Catalog: |
BB019699 |
Product Name: |
Bis(4-bromophenyl)acetylene |
CAS: |
2789-89-1 |
Synonyms: |
1-bromo-4-[2-(4-bromophenyl)ethynyl]benzene; 1-bromo-4-[2-(4-bromophenyl)ethynyl]benzene |
IUPAC Name: | 1-bromo-4-[2-(4-bromophenyl)ethynyl]benzene |
Description: | 1,2-Bis(4-bromophenyl)ethyne (CAS# 2789-89-1) is used as a reactant in the synthesis of ethynylarene analogs containing 2-(1,2,3-triazol-4-yl)pyridine as selective 'turn-on' fluorescent chemosensors for Ni(II). |
Molecular Weight: | 336.02 |
Molecular Formula: | C14H8Br2 |
Canonical SMILES: | C1=CC(=CC=C1C#CC2=CC=C(C=C2)Br)Br |
InChI: | InChI=1S/C14H8Br2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H |
InChI Key: | FJQGIJIHOXZMMJ-UHFFFAOYSA-N |
Boiling Point: | 383.6 ℃ at 760 mmHg |
Purity: | 98.0% |
Density: | 1.74 g/cm3 |
LogP: | 4.61140 |
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Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 335.89723 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 333.89928 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.3 |
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