≥97% 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 | 504755104 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755104 |
| Canonical Smiles | COC(=O)C1=C(N=CN1)C(=O)OC |
| IUPAC Name | dimethyl 1H-imidazole-4,5-dicarboxylate |
| InChIKey | CUIWFAXEALIQJS-UHFFFAOYSA-N |
| INCHI | 1S/C7H8N2O4/c1-12-6(10)4-5(7(11)13-2)9-3-8-4/h3H,1-2H3,(H,8,9) |
| Isomeric SMILES | COC(=O)C1=C(N=CN1)C(=O)OC |
| WGK Germany | 3 |
| Molecular Weight | 184.15 |
| Reaxy-Rn | 162703 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=162703&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 | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Carbonylimidazoles |
| Alternative Parents | Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Imidazole-4-carbonyl group - Dicarboxylic acid or derivatives - Methyl ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group. |
| 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 |
|---|---|---|---|
 C2111185 | Certificate of Analysis | Jun 15, 2026 | D138682 |
| D2020028 | Certificate of Analysis | Aug 18, 2025 | D138682 |
| D1626074 | Certificate of Analysis | Jul 09, 2025 | D138682 |
| D2509387 | Certificate of Analysis | Mar 28, 2025 | D138682 |
| D2509388 | Certificate of Analysis | Mar 28, 2025 | D138682 |
| D2509393 | Certificate of Analysis | Mar 28, 2025 | D138682 |
| D2509397 | Certificate of Analysis | Mar 28, 2025 | D138682 |
| F2325479 | Certificate of Analysis | Dec 15, 2022 | D138682 |
| F2325480 | Certificate of Analysis | Jan 25, 2022 | D138682 |
| Solubility | Solubility in hot Water almost transparency |
|---|---|
| Melt Point(°C) | 207-212°C |
| Molecular Weight | 184.150 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 184.048 Da |
| Monoisotopic Mass | 184.048 Da |
| Topological Polar Surface Area | 81.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 219.000 |
| 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 |
