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Basic Description
| Synonyms | diphenyl acetylene | InChI=1/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10 | BDBM50476289 | (Phenylethynyl)benzene # | CHEBI:51579 | EN300-19945 | Benzene,1'-(1,2-ethynediyl)bis- | DIPHENYLACETYLENE-D 10 | Q902100 | Y70JA8HB75 | 1,2-diphenylethyne | |
|---|---|
| Specifications & Purity | ≥99% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Aromatic hydrocarbons Acetylenes |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | alkyne - arylacetylene |
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Associated Targets(Human)
APP
Tclin
Amyloid-beta A4 protein (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 504751939 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751939 |
| IUPAC Name | 2-phenylethynylbenzene |
| INCHI | InChI=1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H |
| InChIKey | JRXXLCKWQFKACW-UHFFFAOYSA-N |
| Smiles | C1=CC=C(C=C1)C#CC2=CC=CC=C2 |
| Isomeric SMILES | C1=CC=C(C=C1)C#CC2=CC=CC=C2 |
| WGK Germany | 3 |
| Molecular Weight | 178.23 |
| Beilstein | 606478 |
| Reaxy-Rn | 606478 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606478&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2513063 |
Certificate of Analysis | Feb 20, 2025 | D106402 |
| I2207526 |
Certificate of Analysis | Jul 09, 2024 | D106402 |
| I2207538 |
Certificate of Analysis | Jun 14, 2024 | D106402 |
| I2207525 |
Certificate of Analysis | Jun 14, 2024 | D106402 |
| I2207527 |
Certificate of Analysis | Jun 14, 2024 | D106402 |
| D2419050 |
Certificate of Analysis | Aug 30, 2022 | D106402 |
| C2405076 |
Certificate of Analysis | Aug 30, 2022 | D106402 |
Chemical and Physical Properties
| Solubility | Miscible with ether and hot alcohol. Immiscible with water. |
|---|---|
| Boil Point(°C) | 170°C |
| Melt Point(°C) | 58-61°C |
| Molecular Weight | 178.230 g/mol |
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 178.078 Da |
| Monoisotopic Mass | 178.078 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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 |
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