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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1=C(C=NN1C(F)(F)F)C=O |
|---|---|
| IUPAC Name | 1-(trifluoromethyl)pyrazole-4-carbaldehyde |
| InChIKey | CVIZRECPEHSAKE-UHFFFAOYSA-N |
| INCHI | 1S/C5H3F3N2O/c6-5(7,8)10-2-4(3-11)1-9-10/h1-3H |
| Isomeric SMILES | C1=C(C=NN1C(F)(F)F)C=O |
| Alternate CAS | 1556454-55-7 |
| PubChem CID | 91088026 |
| Molecular Weight | 164.09 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Trihalomethanes Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-aldehyde - Azole - Pyrazole - Vinylogous amide - Heteroaromatic compound - Trihalomethane - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - 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 |
| Molecular Weight | 164.090 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 164.02 Da |
| Monoisotopic Mass | 164.02 Da |
| Topological Polar Surface Area | 34.900 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 158.000 |
| 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 |