≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| ALogP | 1.6 |
|---|
| Canonical Smiles | CCOC(=O)C1=C2C(=NC=NN2C=C1)Cl |
|---|---|
| InChIKey | HDBGKZUTVMFPKW-UHFFFAOYSA-N |
| INCHI | 1S/C9H8ClN3O2/c1-2-15-9(14)6-3-4-13-7(6)8(10)11-5-12-13/h3-5H,2H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1=C2C(=NC=NN2C=C1)Cl |
| PubChem CID | 71742665 |
| Molecular Weight | 225.63 |
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 | Pyrrolotriazines |
| Subclass | Pyrrolo[2,1-f][1,2,4]triazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolo[2,1-f][1,2,4]triazines |
| Alternative Parents | Pyrrole carboxylic acids and derivatives Substituted pyrroles Aryl chlorides 1,2,4-triazines Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolo[2,1-f][1,2,4]triazine - Pyrrole-3-carboxylic acid or derivatives - Aryl chloride - Aryl halide - 1,2,4-triazine - Triazine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolo[2,1-f][1,2,4]triazines. These are aromatic heterocyclic compounds containing a pyrrolo[2,1-f][1,2,4]triazine ring system. Pyrrolo[2,1-f][1,2,4]triazine consists of a 1,2,4-triazine ring fused to and sharing the N2-atom with a pyrrole ring. |
| External Descriptors | Not available |
| Molecular Weight | 225.630 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 225.031 Da |
| Monoisotopic Mass | 225.031 Da |
| Topological Polar Surface Area | 56.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 252.000 |
| 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 |
![ethyl 4-chloropyrrolo[2,1-f][1,2,4]triazine-5-carboxylate - ≥97% CAS No(1408064-98-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/E/6/E678658.jpg)