≥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.
Product Describtion:
1-Chloro-4-(phenylethynyl)benzene is an internal alkyne that can be prepared by palladium-catalyzed Kumada cross-coupling reaction.
Product Application:
1-Chloro-4-(phenylethynyl)benzene may be used in the preparation of 1-(4-chlorophenyl)-4-methyl-2-phenylnaphthalene and 2-(4-chlorophenyl)-4-methyl-1-phenylnaphthalene as a 1:1 mixture.
| Pubchem Sid | 504758547 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758547 |
| Canonical Smiles | C1=CC=C(C=C1)C#CC2=CC=C(C=C2)Cl |
| IUPAC Name | 1-chloro-4-(2-phenylethynyl)benzene |
| InChIKey | YMZAAGCDWVIPNL-UHFFFAOYSA-N |
| INCHI | 1S/C14H9Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H |
| Isomeric SMILES | C1=CC=C(C=C1)C#CC2=CC=C(C=C2)Cl |
| Molecular Weight | 212.67 |
| Reaxy-Rn | 1871757 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1871757&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 | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorobenzenes |
| Alternative Parents | Aryl chlorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety. |
| 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 |
|---|---|---|---|
 E2330496 | Certificate of Analysis | Mar 11, 2026 | C472486 |
| E2330500 | Certificate of Analysis | Mar 11, 2026 | C472486 |
| E2330611 | Certificate of Analysis | Mar 11, 2026 | C472486 |
| E2330675 | Certificate of Analysis | Mar 11, 2026 | C472486 |
| Flash Point(°F) | Not applicable |
|---|---|
| Flash Point(°C) | Not applicable |
| Melt Point(°C) | 81-83℃ (lit.) |
| Molecular Weight | 212.670 g/mol |
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 212.039 Da |
| Monoisotopic Mass | 212.039 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 243.000 |
| 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 |
