≥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 | 1.1 |
|---|
| Sonrisas canónicas | C1=CN2C(=C1C#N)C(=NC=N2)Cl |
|---|---|
| InChIKey | ZCOFQVBGPXFRSE-UHFFFAOYSA-N |
| INCHI | 1S/C7H3ClN4/c8-7-6-5(3-9)1-2-12(6)11-4-10-7/h1-2,4H |
| Isómeros SMILES | C1=CN2C(=C1C#N)C(=NC=N2)Cl |
| PubChem CID | 46942063 |
| Peso molecular | 178.58 |
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 |
| Clase | 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 | Substituted pyrroles Aryl chlorides 1,2,4-triazines Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolo[2,1-f][1,2,4]triazine - Aryl chloride - Aryl halide - Substituted pyrrole - Triazine - 1,2,4-triazine - Pyrrole - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Cyanide - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 178.580 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 178.005 Da |
| Monoisotopic Mass | 178.005 Da |
| Topological Polar Surface Area | 54.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 223.000 |
| 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 |
![4-chloropyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile - ≥97% CAS No(1263286-52-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/6/C679066.jpg)