≥95% 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.
| Canonical Smiles | CN1C(=CC(=N1)C2=CC=C(S2)C(=O)O)C(F)(F)F |
|---|---|
| IUPAC Name | 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxylic acid |
| InChIKey | MGYVPTDPOYVOQK-UHFFFAOYSA-N |
| INCHI | 1S/C10H7F3N2O2S/c1-15-8(10(11,12)13)4-5(14-15)6-2-3-7(18-6)9(16)17/h2-4H,1H3,(H,16,17) |
| Isomeric SMILES | CN1C(=CC(=N1)C2=CC=C(S2)C(=O)O)C(F)(F)F |
| PubChem CID | 2775669 |
| Molecular Weight | 276.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiophenes |
| Subclass | Thiophene carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophene carboxylic acids |
| Alternative Parents | 2,5-disubstituted thiophenes Pyrazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiophene carboxylic acid - 2,5-disubstituted thiophene - Azole - Pyrazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 276.240 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 276.018 Da |
| Monoisotopic Mass | 276.018 Da |
| Topological Polar Surface Area | 83.400 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 340.000 |
| 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-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxylic Acid - ≥95% , CAS No.223499-20-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)