≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
Description
5-[2-(Trifluoromethyl)phenyl]furfural (5-[2-(Trifluoromethyl)phenyl]-2-furancarboxaldehyde) is an organic building block.
| Canonical Smiles | C1=CC=C(C(=C1)C2=CC=C(O2)C=O)C(F)(F)F |
|---|---|
| IUPAC Name | 5-[2-(trifluoromethyl)phenyl]furan-2-carbaldehyde |
| InChIKey | BECHPBVVELWRBW-UHFFFAOYSA-N |
| INCHI | 1S/C12H7F3O2/c13-12(14,15)10-4-2-1-3-9(10)11-6-5-8(7-16)17-11/h1-7H |
| Isomeric SMILES | C1=CC=C(C(=C1)C2=CC=C(O2)C=O)C(F)(F)F |
| WGK Germany | 3 |
| PubChem CID | 688280 |
| Molecular Weight | 240.18 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Aryl-aldehydes Heteroaromatic compounds Furans Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Aryl-aldehyde - Furan - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Alkyl fluoride - Organic oxygen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Aldehyde - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Flash Point(°F) | 235.4 °F |
|---|---|
| Flash Point(°C) | 113 °C |
| Molecular Weight | 240.180 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 240.04 Da |
| Monoisotopic Mass | 240.04 Da |
| Topological Polar Surface Area | 30.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 277.000 |
| 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 |
![5-[2-(Trifluoromethyl)phenyl]furfural - ≥97% CAS No(94098-56-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/4/T469885.png)