≥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.
| Pubchem Sid | 488196680 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488196680 |
| Canonical Smiles | CCOC(=O)C1=CN=C(N=C1)Cl |
| IUPAC Name | ethyl 2-chloropyrimidine-5-carboxylate |
| InChIKey | IEMKQRSOAOPKRJ-UHFFFAOYSA-N |
| INCHI | 1S/C7H7ClN2O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1=CN=C(N=C1)Cl |
| Molecular Weight | 186.6 |
| Reaxy-Rn | 142651 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=142651&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 | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Pyrimidinecarboxylic acids and derivatives |
| Direct Parent | Pyrimidinecarboxylic acids |
| Alternative Parents | 2-halopyrimidines Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine-5-carboxylic acid - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2412410 | Certificate of Analysis | Aug 29, 2024 | E178082 |
| B2301033 | Certificate of Analysis | Oct 26, 2022 | E178082 |
| B2301060 | Certificate of Analysis | Oct 26, 2022 | E178082 |
| B2301077 | Certificate of Analysis | Oct 26, 2022 | E178082 |
| B2301091 | Certificate of Analysis | Oct 26, 2022 | E178082 |
| Solubility | Soluble in Methanol |
|---|---|
| Sensitivity | Moisture Sensitive |
| Boil Point(°C) | 80 °C/5 mmHg |
| Melt Point(°C) | 58 °C |
| Molecular Weight | 186.590 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 186.02 Da |
| Monoisotopic Mass | 186.02 Da |
| Topological Polar Surface Area | 52.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 157.000 |
| 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 |
