≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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)C(=NNC2=O)CC3=C(C=C(C=N3)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]-2H-phthalazin-1-one |
| InChIKey | VQANFMDKCKJBFN-UHFFFAOYSA-N |
| INCHI | 1S/C15H9ClF3N3O/c16-11-5-8(15(17,18)19)7-20-13(11)6-12-9-3-1-2-4-10(9)14(23)22-21-12/h1-5,7H,6H2,(H,22,23) |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=NNC2=O)CC3=C(C=C(C=N3)C(F)(F)F)Cl |
| PubChem CID | 2766757 |
| Molecular Weight | 339.7 |
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 | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Phthalazines |
| Direct Parent | Phthalazinones |
| Alternative Parents | Pyridazinones Pyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalazinone - Pyridazinone - Aryl chloride - Aryl halide - Pyridazine - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 339.700 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 339.039 Da |
| Monoisotopic Mass | 339.039 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 497.000 |
| 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-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-1(2H)-phthalazinone - ≥90% , CAS No.303148-44-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)