≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | C1=C(C=NC(=N1)C(F)(F)F)O |
|---|---|
| IUPAC Name | 2-(trifluoromethyl)pyrimidin-5-ol |
| InChIKey | QPAXXIOBBIIATH-UHFFFAOYSA-N |
| INCHI | 1S/C5H3F3N2O/c6-5(7,8)4-9-1-3(11)2-10-4/h1-2,11H |
| Isomeric SMILES | C1=C(C=NC(=N1)C(F)(F)F)O |
| Alternate CAS | 100991-09-1 |
| PubChem CID | 13590680 |
| Molecular Weight | 164.09 |
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 | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxypyrimidines |
| Alternative Parents | Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydroxypyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| 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 |
|---|---|---|---|
 J2412524 | Certificate of Analysis | Jun 19, 2024 | P626519 |
| J2414522 | Certificate of Analysis | Jun 19, 2024 | P626519 |
| J2414523 | Certificate of Analysis | Jun 19, 2024 | P626519 |
| J2414525 | Certificate of Analysis | Jun 19, 2024 | P626519 |
| J2414526 | Certificate of Analysis | Jun 19, 2024 | P626519 |
| J2414527 | Certificate of Analysis | Jun 19, 2024 | P626519 |
| J2414528 | Certificate of Analysis | Jun 19, 2024 | P626519 |
| J2414529 | Certificate of Analysis | Jun 19, 2024 | P626519 |
| J2414530 | Certificate of Analysis | Jun 19, 2024 | P626519 |
| Molecular Weight | 164.090 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 164.02 Da |
| Monoisotopic Mass | 164.02 Da |
| Topological Polar Surface Area | 46.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 130.000 |
| 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 |
