≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
Description
Tetrazine has shown to be a versatile building block as a substrate in inverse elecron demand hetero Diels-Alder reactions. The Boger group has reported this powerful approach in the synthesis of alkaloids.
| Canonical Smiles | COC(=O)C1=NN=C(N=N1)C(=O)OC |
|---|---|
| IUPAC Name | dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate |
| InChIKey | QODPSGGFQFBWME-UHFFFAOYSA-N |
| INCHI | 1S/C6H6N4O4/c1-13-5(11)3-7-9-4(10-8-3)6(12)14-2/h1-2H3 |
| Isomeric SMILES | COC(=O)C1=NN=C(N=N1)C(=O)OC |
| Molecular Weight | 198.14 |
| Reaxy-Rn | 209481 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=209481&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 | Tetrazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetrazines |
| Alternative Parents | Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Tetrazine - Dicarboxylic acid or derivatives - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - 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 tetrazines. These are organic compounds containing a tetrazine ring, which is a six-membered aromatic heterocycle made up of four nitrogen atoms and a two carbon atoms. |
| 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 |
|---|---|---|---|
 B2421244 | Certificate of Analysis | Jan 11, 2024 | B486891 |
| B2421246 | Certificate of Analysis | Jan 11, 2024 | B486891 |
| B2421247 | Certificate of Analysis | Jan 11, 2024 | B486891 |
| B2421248 | Certificate of Analysis | Jan 11, 2024 | B486891 |
| B2421249 | Certificate of Analysis | Jan 11, 2024 | B486891 |
| B2421250 | Certificate of Analysis | Jan 11, 2024 | B486891 |
| Flash Point(°F) | Not applicable |
|---|---|
| Flash Point(°C) | Not applicable |
| Molecular Weight | 198.140 g/mol |
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 198.039 Da |
| Monoisotopic Mass | 198.039 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 202.000 |
| 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 |
