≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
| Canonical Smiles | C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C=O)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 3-(1,3-benzodioxol-5-yl)-1-phenylpyrazole-4-carbaldehyde |
| InChIKey | IVFWJLCVAHTFCT-UHFFFAOYSA-N |
| INCHI | 1S/C17H12N2O3/c20-10-13-9-19(14-4-2-1-3-5-14)18-17(13)12-6-7-15-16(8-12)22-11-21-15/h1-10H,11H2 |
| Isomeric SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C=O)C4=CC=CC=C4 |
| PubChem CID | 7176226 |
| Molecular Weight | 292.294 |
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 | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Benzodioxoles Aryl-aldehydes Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Benzodioxole - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Oxacycle - Azacycle - Acetal - Aldehyde - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 292.290 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 292.085 Da |
| Monoisotopic Mass | 292.085 Da |
| Topological Polar Surface Area | 53.400 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 399.000 |
| 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 |
![3-(Benzo[D][1,3]dioxol-5-YL)-1-phenyl-1H-pyrazole-4-carbaldehyde - ≥97% , CAS No.1004451-69-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)