≥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 | CC1=NC2=C(C=NN2C3=C1CCC3)C4=CC=C(C=C4)Cl |
|---|---|
| IUPAC Name | 10-(4-chlorophenyl)-7-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene |
| InChIKey | LEFMWIRVZAQPMC-UHFFFAOYSA-N |
| INCHI | 1S/C16H14ClN3/c1-10-13-3-2-4-15(13)20-16(19-10)14(9-18-20)11-5-7-12(17)8-6-11/h5-9H,2-4H2,1H3 |
| Isomeric SMILES | CC1=NC2=C(C=NN2C3=C1CCC3)C4=CC=C(C=C4)Cl |
| PubChem CID | 1477883 |
| Molecular Weight | 283.76 |
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 | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Pyrazolo[1,5-a]pyrimidines Chlorobenzenes Pyrimidines and pyrimidine derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Chlorobenzene - Halobenzene - Benzenoid - Pyrimidine - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 283.750 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 283.088 Da |
| Monoisotopic Mass | 283.088 Da |
| Topological Polar Surface Area | 30.200 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 356.000 |
| 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 |
![3-(4-chlorophenyl)-5-methyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine - ≥90% , CAS No.866018-11-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)