≥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.
| Sonrisas canónicas | CN1C(=C(C(=N1)C(F)F)C(=O)O)OC2=CC=CC(=C2)C(F)(F)F |
|---|---|
| IUPAC Name | 3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylic acid |
| InChIKey | PSZGSAQBIBBCRP-UHFFFAOYSA-N |
| INCHI | 1S/C13H9F5N2O3/c1-20-11(8(12(21)22)9(19-20)10(14)15)23-7-4-2-3-6(5-7)13(16,17)18/h2-5,10H,1H3,(H,21,22) |
| Isómeros SMILES | CN1C(=C(C(=N1)C(F)F)C(=O)O)OC2=CC=CC(=C2)C(F)(F)F |
| Peso molecular | 336.218 |
| Reaxy-Rn | 38516679 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38516679&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 |
| Clase | 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 Carboxylic acids Azacyclic 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 - Heteroaromatic compound - Pyrazole - Vinylogous amide - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Alkyl halide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 336.210 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 336.053 Da |
| Monoisotopic Mass | 336.053 Da |
| Topological Polar Surface Area | 64.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 434.000 |
| 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-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylic acid - ≥97% CAS No(1369490-06-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/1/D173716.png)