≥97% 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.
| Canonical Smiles | COC(=O)C1=C(C(=NC(=N1)Cl)Cl)Cl |
|---|---|
| IUPAC Name | methyl 2,5,6-trichloropyrimidine-4-carboxylate |
| InChIKey | TVFOOGACHSHHSX-UHFFFAOYSA-N |
| INCHI | 1S/C6H3Cl3N2O2/c1-13-5(12)3-2(7)4(8)11-6(9)10-3/h1H3 |
| Isomeric SMILES | COC(=O)C1=C(C(=NC(=N1)Cl)Cl)Cl |
| PubChem CID | 248061 |
| Molecular Weight | 241.46 |
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 | 2-halopyrimidines Aryl chlorides Vinylogous halides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine-6-carboxylic acid - Halopyrimidine - 2-halopyrimidine - Aryl chloride - Aryl halide - Methyl ester - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2606594 | Certificate of Analysis | Feb 26, 2026 | M696805 |
| C2606597 | Certificate of Analysis | Feb 26, 2026 | M696805 |
| C2606598 | Certificate of Analysis | Feb 26, 2026 | M696805 |
| C2606599 | Certificate of Analysis | Feb 26, 2026 | M696805 |
| Sensitivity | Moisture sensitive |
|---|---|
| Melt Point(°C) | 46-49° |
| Molecular Weight | 241.500 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 239.926 Da |
| Monoisotopic Mass | 239.926 Da |
| Topological Polar Surface Area | 52.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 204.000 |
| 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 |
