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Basic Description
| Synonyms | DS-1950 | SCHEMBL245 | BRN 0147774 | 4,5-Imidazoledicarboxylate | F0266-0718 | FT-0617152 | J-640097 | DTXSID6060349 | EINECS 209-327-5 | UNII-DP9E7PEL2M | A8143 | Q-200419 | alpha,beta-imidazole dicarboxylic acid | AKOS000271189 | TS-00079 | I0003 | IMID |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
| Product Description |
4,5-Imidazoledicarboxylic Acid is an intermediate used in the synthesis of N-substituted cyclic imides with anticancer and anti-inflammatory activities. it is also used to prepare imidazolecarboxamide derivatives with cannabinoid CB2 receptor antagonistic activities. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Imidazoles
- Level5 Substituted imidazoles
- Level6 Carbonylimidazoles
- Level5 Substituted imidazoles
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Subclass
Imidazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
| 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 Heteroaromatic compounds Carboxylic acids 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 - Heteroaromatic compound - Vinylogous amide - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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 |
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Names and Identifiers
| Pubchem Sid | 488184141 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184141 |
| IUPAC Name | 1H-imidazole-4,5-dicarboxylic acid |
| INCHI | InChI=1S/C5H4N2O4/c8-4(9)2-3(5(10)11)7-1-6-2/h1H,(H,6,7)(H,8,9)(H,10,11) |
| InChIKey | ZEVWQFWTGHFIDH-UHFFFAOYSA-N |
| Smiles | C1=NC(=C(N1)C(=O)O)C(=O)O |
| Isomeric SMILES | C1=NC(=C(N1)C(=O)O)C(=O)O |
| WGK Germany | 3 |
| RTECS | NI4760000 |
| Molecular Weight | 156.1 |
| Beilstein | 147774 |
| Reaxy-Rn | 147774 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=147774&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2509394 |
Certificate of Analysis | Apr 22, 2025 | I107066 |
| G2509414 |
Certificate of Analysis | Apr 22, 2025 | I107066 |
| G2509429 |
Certificate of Analysis | Apr 22, 2025 | I107066 |
| G2509430 |
Certificate of Analysis | Apr 22, 2025 | I107066 |
| L2403625 |
Certificate of Analysis | Nov 21, 2024 | I107066 |
| L2403626 |
Certificate of Analysis | Nov 21, 2024 | I107066 |
| L2403646 |
Certificate of Analysis | Nov 21, 2024 | I107066 |
| G2429217 |
Certificate of Analysis | Jun 26, 2024 | I107066 |
| G2429218 |
Certificate of Analysis | Jun 26, 2024 | I107066 |
| G2429222 |
Certificate of Analysis | Jun 26, 2024 | I107066 |
| H2430010 |
Certificate of Analysis | Mar 22, 2024 | I107066 |
| E2411163 |
Certificate of Analysis | Mar 22, 2024 | I107066 |
| E2411307 |
Certificate of Analysis | Mar 22, 2024 | I107066 |
| E2411308 |
Certificate of Analysis | Mar 22, 2024 | I107066 |
| E2411309 |
Certificate of Analysis | Mar 22, 2024 | I107066 |
| E2411310 |
Certificate of Analysis | Mar 22, 2024 | I107066 |
| L2318329 |
Certificate of Analysis | Nov 30, 2023 | I107066 |
| L2318330 |
Certificate of Analysis | Nov 30, 2023 | I107066 |
| L2318331 |
Certificate of Analysis | Nov 30, 2023 | I107066 |
| H2430424 |
Certificate of Analysis | Nov 30, 2023 | I107066 |
| L2207560 |
Certificate of Analysis | Sep 05, 2022 | I107066 |
| L2207201 |
Certificate of Analysis | Sep 05, 2022 | I107066 |
| L2207559 |
Certificate of Analysis | Sep 05, 2022 | I107066 |
| L2207200 |
Certificate of Analysis | Sep 05, 2022 | I107066 |
| L2207541 |
Certificate of Analysis | Sep 05, 2022 | I107066 |
| D23142279 |
Certificate of Analysis | Nov 23, 2021 | I107066 |
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Chemical and Physical Properties
| Melt Point(°C) | 280-285°C |
|---|---|
| Molecular Weight | 156.100 g/mol |
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 156.017 Da |
| Monoisotopic Mass | 156.017 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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 |
Alternative Products
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2-methyl-1H-imidazole-4,5-dicarboxylic acidStarting at $37.90
-
Dimethyl 4,5-imidazoledicarboxylate
Starting at $14.90
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