≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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.
| Pubchem Sid | 504772365 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772365 |
| Canonical Smiles | B(C1=CN(N=C1C(F)(F)F)CC)(O)O |
| IUPAC Name | [1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]boronic acid |
| InChIKey | ONQLQTCDZMHNEU-UHFFFAOYSA-N |
| INCHI | 1S/C6H8BF3N2O2/c1-2-12-3-4(7(13)14)5(11-12)6(8,9)10/h3,13-14H,2H2,1H3 |
| Isomeric SMILES | B(C1=CN(N=C1C(F)(F)F)CC)(O)O |
| Molecular Weight | 207.95 |
| Reaxy-Rn | 37063753 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37063753&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 | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazoles |
| Alternative Parents | Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organofluorides Organic oxygen compounds Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrazole - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - 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 |
|---|---|---|---|
 K2314197 | Certificate of Analysis | Nov 04, 2023 | E588261 |
| K2314198 | Certificate of Analysis | Nov 04, 2023 | E588261 |
| K2314199 | Certificate of Analysis | Nov 04, 2023 | E588261 |
| K2314200 | Certificate of Analysis | Nov 04, 2023 | E588261 |
| K2314201 | Certificate of Analysis | Nov 04, 2023 | E588261 |
| K2314202 | Certificate of Analysis | Nov 04, 2023 | E588261 |
| K2314203 | Certificate of Analysis | Nov 04, 2023 | E588261 |
| Molecular Weight | 207.950 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 208.063 Da |
| Monoisotopic Mass | 208.063 Da |
| Topological Polar Surface Area | 58.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 202.000 |
| 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 |
