≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged 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 | CCOC(=O)C1=CN=C(N=C1)C(F)(F)F |
|---|---|
| IUPAC Name | ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate |
| InChIKey | LRUCUGOOQHJEQP-UHFFFAOYSA-N |
| INCHI | 1S/C8H7F3N2O2/c1-2-15-6(14)5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1=CN=C(N=C1)C(F)(F)F |
| PubChem CID | 21936133 |
| Molecular Weight | 220.15 |
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 | Pyrimidinecarboxylic acids and derivatives |
| Direct Parent | Pyrimidinecarboxylic acids |
| Alternative Parents | Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine-5-carboxylic acid - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring. |
| 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 |
|---|---|---|---|
 L2412376 | Certificate of Analysis | Aug 09, 2024 | E683037 |
| L2412377 | Certificate of Analysis | Aug 09, 2024 | E683037 |
| L2412380 | Certificate of Analysis | Aug 09, 2024 | E683037 |
| L2412508 | Certificate of Analysis | Aug 09, 2024 | E683037 |
| L2412509 | Certificate of Analysis | Aug 09, 2024 | E683037 |
| L2412510 | Certificate of Analysis | Aug 09, 2024 | E683037 |
| L2412511 | Certificate of Analysis | Aug 09, 2024 | E683037 |
| L2412512 | Certificate of Analysis | Aug 09, 2024 | E683037 |
| Molecular Weight | 220.150 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 220.046 Da |
| Monoisotopic Mass | 220.046 Da |
| Topological Polar Surface Area | 52.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 224.000 |
| 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 |
