≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
1,4-Diphenylbutadiyne reacts with [WI2(CO)3(NCMe)2] in CH2Cl2 to give the iodo-bridged dimer [W(μ-I)I(CO)(NCMe)(η2PhC2C2Ph)]2.1,4-Diphenylbutadiyne on UV irradiation with olefins such as 2,3-dimethyl-2-butene, 1,4-cyclohexadiene and dimethyl fumarate yields cross-cycloaddition products.
1,4-Diphenylbutadiyne was used in the preparation of 7,8-dehydropurpurin dimers via two-fold Pd-catalyzed [3+2] annulation of meso-bromoporphyrin.
| Pubchem Sid | 488184494 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184494 |
| Canonical Smiles | C1=CC=C(C=C1)C#CC#CC2=CC=CC=C2 |
| IUPAC Name | 4-phenylbuta-1,3-diynylbenzene |
| InChIKey | HMQFJYLWNWIYKQ-UHFFFAOYSA-N |
| INCHI | 1S/C16H10/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H |
| Isomeric SMILES | C1=CC=C(C=C1)C#CC#CC2=CC=CC=C2 |
| WGK Germany | 3 |
| Molecular Weight | 202.25 |
| Beilstein | 5(4)2462 |
| Reaxy-Rn | 1910105 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910105&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 | alkadiyne |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2314241 | Certificate of Analysis | Jan 07, 2025 | D100602 |
| D2314282 | Certificate of Analysis | Jan 07, 2025 | D100602 |
| D2314296 | Certificate of Analysis | Jan 07, 2025 | D100602 |
| D2314354 | Certificate of Analysis | Jan 07, 2025 | D100602 |
| D2314377 | Certificate of Analysis | Jan 07, 2025 | D100602 |
| D2314785 | Certificate of Analysis | Jan 07, 2025 | D100602 |
| D2314796 | Certificate of Analysis | Jan 07, 2025 | D100602 |
| D2314805 | Certificate of Analysis | Jan 07, 2025 | D100602 |
| I2108217 | Certificate of Analysis | Jun 09, 2023 | D100602 |
| I2108215 | Certificate of Analysis | Jun 09, 2023 | D100602 |
| I2108216 | Certificate of Analysis | Jun 09, 2023 | D100602 |
| Boil Point(°C) | 210°C/3mmHg |
|---|---|
| Melt Point(°C) | 85-88°C |
| Molecular Weight | 202.250 g/mol |
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 3 |
| Exact Mass | 202.078 Da |
| Monoisotopic Mass | 202.078 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 289.000 |
| 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 |
| 1. Longqiang Xiao, Shaojun Cai, Qingye Liu, Liqiong Liao, Xin Guo, Yan Li, Xiangxiang Jia, Feifei Li, Lijian Liu. (2013) One-step synthesis of polypyrazoles and self-assembled polypyrazole–copper catalysts for click chemistry. Polymer Chemistry, 5 (2): (607-613). [PMID:] [10.1039/C3PY01105D] |
| 2. Xinlei Cui, Guanghong Yang, Weifeng Zhang, Caihong Jia. (2026) High-Performance Flexible Organic Memristor Based on DPDA with Low Energy Consumption for Neuromorphic Computing. ACS Applied Nano Materials, [PMID:] [10.1021/acsanm.5c04952] |
