≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504768860 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768860 |
| Canonical Smiles | CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#C |
| IUPAC Name | 1-ethynyl-4-(4-propylphenyl)benzene |
| InChIKey | ZBSZCHDBZRCUES-UHFFFAOYSA-N |
| INCHI | 1S/C17H16/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h2,6-13H,3,5H2,1H3 |
| Isomeric SMILES | CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#C |
| Molecular Weight | 220.32 |
| Reaxy-Rn | 8908613 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8908613&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 | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | Phenylpropanes Aromatic hydrocarbons Acetylides Acetylenes |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenyl - Phenylpropane - Aromatic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2326046 | Certificate of Analysis | Aug 03, 2026 | E404412 |
| J2326047 | Certificate of Analysis | Aug 03, 2026 | E404412 |
| J2326048 | Certificate of Analysis | Aug 03, 2026 | E404412 |
| J2326049 | Certificate of Analysis | Aug 03, 2026 | E404412 |
| J2326050 | Certificate of Analysis | Aug 03, 2026 | E404412 |
| J2326051 | Certificate of Analysis | Aug 03, 2026 | E404412 |
| J2326052 | Certificate of Analysis | Aug 03, 2026 | E404412 |
| J2326053 | Certificate of Analysis | Aug 03, 2026 | E404412 |
| Solubility | Soluble in Toluene |
|---|---|
| Molecular Weight | 220.310 g/mol |
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 4 |
| Exact Mass | 220.125 Da |
| Monoisotopic Mass | 220.125 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 253.000 |
| 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 |
