≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
2-Ethynylbenzaldehyde may be used in the synthesis of the following:
• iodoisoquinoline-fused benzimidazoles obtained via tandem iodocyclization of 2-ethynylbenzaldehyde with o-benzenediamine and iodine in the presence of copper(I)iodide
• N-[(7,7a-dihydroisoquinolino[2,1-a]perimidin-13-yl)methyl]-N-isopropylpropan-2-amine obtained via a multi-step process
It may also be used in the synthesis of the following substituted 2-alkynylbenzaldehydes by Sonogashira coupling:
• 2-[(2-bromophenyl)ethynyl]benzaldehyde
• 2-[(2-bromo-5-fluorophenyl)ethynyl]benzaldehyde
• 2-[(2-bromo-5-methylphenyl)ethynyl]benzaldehyde
• 2-(phenylethynyl)benzaldehyde
• 2-[(4-methylphenyl)ethynyl]benzaldehyde
| Pubchem Sid | 504759685 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759685 |
| Canonical Smiles | C#CC1=CC=CC=C1C=O |
| IUPAC Name | 2-ethynylbenzaldehyde |
| InChIKey | ZEDSAJWVTKUHHK-UHFFFAOYSA-N |
| INCHI | 1S/C9H6O/c1-2-8-5-3-4-6-9(8)7-10/h1,3-7H |
| Isomeric SMILES | C#CC1=CC=CC=C1C=O |
| WGK Germany | 3 |
| Molecular Weight | 130.14 |
| Reaxy-Rn | 2612483 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2612483&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 | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Benzaldehydes Acetylides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoyl - Benzaldehyde - Aryl-aldehyde - Acetylide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| 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 |
|---|---|---|---|
 J2115172 | Certificate of Analysis | Jul 08, 2024 | E193142 |
| J2115177 | Certificate of Analysis | Jul 08, 2024 | E193142 |
| J2115183 | Certificate of Analysis | Jul 08, 2024 | E193142 |
| I2403352 | Certificate of Analysis | Jun 24, 2024 | E193142 |
| B2422029 | Certificate of Analysis | Jul 15, 2021 | E193142 |
| Sensitivity | air sensitive |
|---|---|
| Melt Point(°C) | 63 °C |
| Molecular Weight | 130.139 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 130.042 Da |
| Monoisotopic Mass | 130.042 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
