≥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.
| Canonical Smiles | CC1=NN(C(=C1C(=O)O)OC2=CC=CC(=C2)C(F)(F)F)C |
|---|---|
| IUPAC Name | 1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylic acid |
| InChIKey | PXLDNTZHJFLCCC-UHFFFAOYSA-N |
| INCHI | 1S/C13H11F3N2O3/c1-7-10(12(19)20)11(18(2)17-7)21-9-5-3-4-8(6-9)13(14,15)16/h3-6H,1-2H3,(H,19,20) |
| Isomeric SMILES | CC1=NN(C(=C1C(=O)O)OC2=CC=CC(=C2)C(F)(F)F)C |
| PubChem CID | 2774290 |
| Molecular Weight | 300.24 |
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 | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylethers |
| Alternative Parents | Trifluoromethylbenzenes Pyrazole carboxylic acids and derivatives Phenoxy compounds Phenol ethers Vinylogous amides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diaryl ether - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Pyrazole-4-carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. |
| External Descriptors | Not available |
| Melt Point(°C) | 200-203 |
|---|---|
| Molecular Weight | 300.230 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 300.072 Da |
| Monoisotopic Mass | 300.072 Da |
| Topological Polar Surface Area | 64.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 391.000 |
| 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 |
![1,3-Dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylic acid - ≥97% , CAS No.446276-23-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)