≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | C1=CC=C2C(=C1)N=C3N2C(N=C(N3)N)C4=C(C=C(C=C4)Cl)F |
|---|---|
| IUPAC Name | 4-(4-chloro-2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine |
| InChIKey | UXQKKOKMZFJCIF-UHFFFAOYSA-N |
| INCHI | 1S/C15H11ClFN5/c16-8-5-6-9(10(17)7-8)13-20-14(18)21-15-19-11-3-1-2-4-12(11)22(13)15/h1-7,13H,(H3,18,19,20,21) |
| PubChem CID | 135649883 |
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 | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Fluorobenzenes Chlorobenzenes Aminotriazines Aryl fluorides Aryl chlorides 1,3,5-triazines Tertiary amines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organofluorides Organochlorides Imines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Aminotriazine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - 1,3,5-triazine - Aryl halide - Monocyclic benzene moiety - Benzenoid - Triazine - Tertiary amine - Guanidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organofluoride - Organochloride - Organohalogen compound - Imine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). |
| External Descriptors | Not available |
| Molecular Weight | 315.730 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 315.069 Da |
| Monoisotopic Mass | 315.069 Da |
| Topological Polar Surface Area | 68.200 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 461.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![4-(4-Chloro-2-fluorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine - ≥97% , CAS No.1158195-73-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)