application：
Pyrimidine-5-carboxaldehyde is used in the preparation of (S)- and (R)-pyrimidyl alkanol by reacting with diisopropylzinc and (n-butyl)ethyl(n-hexyl)(n-propyl)methane.
| Pubchem Sid | 488193192 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488193192 |
| Sonrisas canónicas | C1=C(C=NC=N1)C=O |
| IUPAC Name | pyrimidine-5-carbaldehyde |
| InChIKey | FREJAOSUHFGDBW-UHFFFAOYSA-N |
| INCHI | 1S/C5H4N2O/c8-3-5-1-6-4-7-2-5/h1-4H |
| Isómeros SMILES | C1=C(C=NC=N1)C=O |
| Peso molecular | 108.1 |
| Reaxy-Rn | 506964 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506964&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 | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Aldehydes |
| Direct Parent | Aryl-aldehydes |
| Alternative Parents | Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-aldehyde - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 A2517127 | Certificate of Analysis | Apr 12, 2023 | P123455 |
| D23211599 | Certificate of Analysis | Apr 12, 2023 | P123455 |
| D23211617 | Certificate of Analysis | Apr 12, 2023 | P123455 |
| D23211628 | Certificate of Analysis | Apr 12, 2023 | P123455 |
| D23211642 | Certificate of Analysis | Apr 12, 2023 | P123455 |
| D23211706 | Certificate of Analysis | Apr 12, 2023 | P123455 |
| D23211711 | Certificate of Analysis | Apr 12, 2023 | P123455 |
| J2425234 | Certificate of Analysis | Apr 12, 2023 | P123455 |
| Sensibilidad | Air sensitive；Light sensitive |
|---|---|
| Punto de ebullición (°C) | 80-82°C/4mmHg |
| Punto de fusión (°C) | 39-43°C |
| Peso molecular | 108.100 g/mol |
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 108.032 Da |
| Monoisotopic Mass | 108.032 Da |
| Topological Polar Surface Area | 42.900 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 78.500 |
| 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 |
