≥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 | CCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)O)C(F)(F)F.Cl |
|---|---|
| IUPAC Name | 4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;hydrochloride |
| InChIKey | QBQGEIMVQREGSM-UHFFFAOYSA-N |
| INCHI | 1S/C15H19F3N2O2.ClH/c1-2-19-5-7-20(8-6-19)10-12-4-3-11(14(21)22)9-13(12)15(16,17)18;/h3-4,9H,2,5-8,10H2,1H3,(H,21,22);1H |
| Isomeric SMILES | CCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)O)C(F)(F)F.Cl |
| PubChem CID | 66674451 |
| Molecular Weight | 352.78 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Benzoic acids Phenylmethylamines Benzoyl derivatives Benzylamines Aralkylamines N-alkylpiperazines Trialkylamines Amino acids Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides Organooxygen compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Benzylamine - Phenylmethylamine - N-alkylpiperazine - Aralkylamine - Piperazine - 1,4-diazinane - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Amine - Hydrochloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 352.780 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 352.117 Da |
| Monoisotopic Mass | 352.117 Da |
| Topological Polar Surface Area | 43.800 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 381.000 |
| 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 | 2 |
