≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | 488189682 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189682 |
| Canonical Smiles | COC(=O)C1=CN=C(C=N1)Cl |
| IUPAC Name | methyl 5-chloropyrazine-2-carboxylate |
| InChIKey | CVVMLRFXZPKILB-UHFFFAOYSA-N |
| INCHI | 1S/C6H5ClN2O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3 |
| Isomeric SMILES | COC(=O)C1=CN=C(C=N1)Cl |
| WGK Germany | 3 |
| Molecular Weight | 172.57 |
| Reaxy-Rn | 880046 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=880046&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 | Pyrazines |
| Intermediate Tree Nodes | Pyrazine carboxylic acids and derivatives |
| Direct Parent | Pyrazine carboxylic acids |
| Alternative Parents | Aryl chlorides 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 | Pyrazine carboxylic acid - Aryl chloride - Aryl halide - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups. |
| 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 |
|---|---|---|---|
 B2226208 | Certificate of Analysis | Dec 12, 2025 | M115555 |
| E1709017 | Certificate of Analysis | Jan 07, 2025 | M115555 |
| J2019260 | Certificate of Analysis | Aug 20, 2024 | M115555 |
| J2019261 | Certificate of Analysis | Aug 20, 2024 | M115555 |
| J2019262 | Certificate of Analysis | Aug 20, 2024 | M115555 |
| G2403291 | Certificate of Analysis | May 23, 2024 | M115555 |
| G2403292 | Certificate of Analysis | May 23, 2024 | M115555 |
| G2403293 | Certificate of Analysis | May 23, 2024 | M115555 |
| B2226209 | Certificate of Analysis | Dec 24, 2021 | M115555 |
| Molecular Weight | 172.570 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 172.004 Da |
| Monoisotopic Mass | 172.004 Da |
| Topological Polar Surface Area | 52.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 154.000 |
| 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 |
