≥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.
3-(Trifluoromethyl)pyrazoles is a heterocyclic building block. It undergoes alkylation with alkyl iodides in DMF to afford the N-alkyl pyrazoles. It participates in the synthesis of disubstituted pyrimidines.
3-(Trifluoromethyl)pyrazole may be used in copper-catalyzed pyrazole N-arylation.[3][4] It may be used in the synthesis of sodium hydridotris(1H-3-trifluoromethylpyrazol-1-yl)borate by heating with sodium borohydride.
| Pubchem Sid | 504760640 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760640 |
| Canonical Smiles | C1=C(NN=C1)C(F)(F)F |
| IUPAC Name | 5-(trifluoromethyl)-1H-pyrazole |
| InChIKey | PYXNITNKYBLBMW-UHFFFAOYSA-N |
| INCHI | 1S/C4H3F3N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9) |
| Isomeric SMILES | C1=C(NN=C1)C(F)(F)F |
| WGK Germany | 3 |
| PubChem CID | 1807034 |
| Molecular Weight | 136.08 |
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 | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazoles |
| Alternative Parents | Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2623046 | Certificate of Analysis | Apr 02, 2026 | T168356 |
| L2111342 | Certificate of Analysis | Sep 17, 2025 | T168356 |
| L2111343 | Certificate of Analysis | Sep 17, 2025 | T168356 |
| L2111344 | Certificate of Analysis | Sep 17, 2025 | T168356 |
| L2111345 | Certificate of Analysis | Sep 17, 2025 | T168356 |
| L2111346 | Certificate of Analysis | Sep 17, 2025 | T168356 |
| L2111347 | Certificate of Analysis | Sep 17, 2025 | T168356 |
| F2415021 | Certificate of Analysis | Jun 24, 2024 | T168356 |
| H2401455 | Certificate of Analysis | Jun 18, 2024 | T168356 |
| H2401456 | Certificate of Analysis | Jun 18, 2024 | T168356 |
| H2401462 | Certificate of Analysis | Jun 18, 2024 | T168356 |
| H2401463 | Certificate of Analysis | Jun 18, 2024 | T168356 |
| E1920056 | Certificate of Analysis | Mar 08, 2023 | T168356 |
| E2429023 | Certificate of Analysis | Nov 22, 2021 | T168356 |
| J2524199 | Certificate of Analysis | Nov 22, 2021 | T168356 |
| Boil Point(°C) | 98 °C/17 mmHg |
|---|---|
| Melt Point(°C) | 45-47℃ |
| Molecular Weight | 136.080 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 136.025 Da |
| Monoisotopic Mass | 136.025 Da |
| Topological Polar Surface Area | 28.700 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 100.000 |
| 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 |
