≥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.
| Sonrisas canónicas | COC(=O)C1=NN(C=C1)COC2=CC=CC(=C2)C(F)(F)F |
|---|---|
| IUPAC Name | methyl 1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylate |
| InChIKey | OVOUTNXAAWPRPF-UHFFFAOYSA-N |
| INCHI | 1S/C13H11F3N2O3/c1-20-12(19)11-5-6-18(17-11)8-21-10-4-2-3-9(7-10)13(14,15)16/h2-7H,8H2,1H3 |
| Isómeros SMILES | COC(=O)C1=NN(C=C1)COC2=CC=CC(=C2)C(F)(F)F |
| PubChem CID | 7017406 |
| Peso molecular | 300.237 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Pyrazole carboxylic acids and derivatives Phenoxy compounds Phenol ethers Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Azole - Heteroaromatic compound - Methyl ester - Pyrazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 300.230 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 300.072 Da |
| Monoisotopic Mass | 300.072 Da |
| Topological Polar Surface Area | 53.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 365.000 |
| 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 |
![methyl 1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carboxylate - ≥97% , CAS No.1004193-78-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)