≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 504767588 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767588 |
| Canonical Smiles | C1=CC(=CC=C1C=O)C#CC2=CC=C(C=C2)C=O |
| IUPAC Name | 4-[2-(4-formylphenyl)ethynyl]benzaldehyde |
| InChIKey | IZJKYSQCRNPJHX-UHFFFAOYSA-N |
| INCHI | 1S/C16H10O2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-12H |
| Isomeric SMILES | C1=CC(=CC=C1C=O)C#CC2=CC=C(C=C2)C=O |
| Molecular Weight | 234.25 |
| Reaxy-Rn | 6201824 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6201824&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 Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoyl - Benzaldehyde - Aryl-aldehyde - 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 |
|---|---|---|---|
 A2205137 | Certificate of Analysis | Oct 16, 2024 | B300889 |
| A2205106 | Certificate of Analysis | Oct 12, 2024 | B300889 |
| A2205135 | Certificate of Analysis | Oct 12, 2024 | B300889 |
| A2205136 | Certificate of Analysis | Oct 12, 2024 | B300889 |
| G2424489 | Certificate of Analysis | May 22, 2024 | B300889 |
| G2424490 | Certificate of Analysis | May 22, 2024 | B300889 |
| Molecular Weight | 234.250 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 234.068 Da |
| Monoisotopic Mass | 234.068 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 312.000 |
| 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 |
