| Pubchem Sid | 504761564 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761564 |
| Canonical Smiles | CC1=C(C=NN1)C=O |
| IUPAC Name | 5-methyl-1H-pyrazole-4-carbaldehyde |
| InChIKey | NWDMGTFNIOCVDU-UHFFFAOYSA-N |
| INCHI | 1S/C5H6N2O/c1-4-5(3-8)2-6-7-4/h2-3H,1H3,(H,6,7) |
| Isomeric SMILES | CC1=C(C=NN1)C=O |
| Molecular Weight | 110.12 |
| Reaxy-Rn | 18342424 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18342424&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 |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Aldehydes |
| Direct Parent | Aryl-aldehydes |
| Alternative Parents | Vinylogous amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-aldehyde - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | 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 | Date | Item |
|---|---|---|---|
 H1909200 | Certificate of Analysis | Dec 17, 2024 | M137435 |
| Sensitivity | Heat & Air & moisture sensitive |
|---|---|
| Melt Point(°C) | 108.0to112.0℃ |
| Molecular Weight | 110.110 g/mol |
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 110.048 Da |
| Monoisotopic Mass | 110.048 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 94.400 |
| 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 |
