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J-147 is supplied by Rexar as a research-grade chemical reference material for analytical chemistry, structural verification and laboratory comparison workflows. This small-molecule compound is provided exclusively for controlled research environments requiring confirmed chemical identity, reproducible analytical characteristics and consistent reference documentation standards.
J-147 (CAS 1146963-51-0) is available directly through the Rexar webshop and supplied in sealed laboratory packaging for distribution within the European Union.
Rexar Technical Compound Datasheet (PDF)
J-147 is a fluorinated aromatic amide compound composed of multiple substituted phenyl systems integrated through an imine and amide linkage. The molecule contains both electron-withdrawing and electron-donating substituents arranged within a conjugated framework, resulting in a defined electronic distribution across the structure.
The core scaffold incorporates a 2,2,2-trifluoroacetamide moiety attached to a substituted aniline derivative. This configuration produces a hybrid molecular architecture combining aromatic rings, heteroatoms and fluorinated carbon centres within a single small-molecule framework.
From a structural classification standpoint, J-147 can be described as a fluorinated aromatic amide containing a Schiff-base type imine linkage. The presence of this imine functionality introduces additional conjugation between aromatic systems and contributes to defined spectroscopic characteristics.
The 2,2,2-trifluoromethyl (–CF3) group is a strongly electron-withdrawing substituent. Fluorine atoms possess high electronegativity, influencing electron density distribution through inductive effects. The CF3 fragment contributes to molecular polarity, lipophilicity modulation and mass spectral characteristics.
In analytical chemistry, fluorinated compounds are often distinguishable by their characteristic fragmentation behaviour in mass spectrometry. The presence of three fluorine atoms increases molecular weight and introduces predictable fragmentation pathways under electron ionisation or electrospray conditions.
Although fluorine does not produce proton NMR signals, its presence influences neighbouring proton environments via inductive and through-space effects. In 13C NMR, carbons bonded to fluorine may display characteristic splitting patterns due to carbon-fluorine coupling constants.
The amide functional group within J-147 introduces resonance stabilisation between the carbonyl oxygen and adjacent nitrogen atom. This resonance limits rotational freedom around the amide bond, often resulting in partial planarity of the local structure.
Amide bonds exhibit characteristic infrared absorption bands corresponding to C=O stretching vibrations. In analytical identification workflows, these absorption bands provide confirmation of amide presence.
The combination of an amide and an imine functionality within a fluorinated aromatic system creates a structurally complex small molecule with well-defined analytical signatures.
J-147 contains multiple aromatic rings with defined substitution patterns, including dimethyl-substituted phenyl and methoxy-substituted phenyl systems. Aromatic substitution influences electron distribution via both inductive and resonance effects.
Methoxy substituents are electron-donating through resonance, contributing to π-electron delocalisation within the aromatic ring. In contrast, trifluoromethyl groups withdraw electron density. The coexistence of these opposing electronic influences results in a balanced and chemically distinctive molecular profile.
Such substitution diversity contributes to characteristic chromatographic behaviour and predictable UV absorption patterns due to aromatic π→π* transitions.
The molecular formula C18H17F3N2O2 describes a covalently bonded structure comprising carbon, hydrogen, fluorine, nitrogen and oxygen atoms. The molecular weight of 350.34 g/mol places J-147 within the typical small-molecule analytical range suitable for reversed-phase chromatographic evaluation.
The integration of aromatic systems, heteroatoms and a fluorinated acyl fragment contributes to defined physicochemical behaviour. The distribution of polar and nonpolar regions influences solubility characteristics and interaction with chromatographic stationary phases.
Under reversed-phase HPLC conditions, aromatic and moderately lipophilic compounds often display retention times influenced by hydrophobic interactions. The trifluoromethyl group may enhance hydrophobic character relative to non-fluorinated analogues.
Retention behaviour may vary depending on mobile phase composition, pH conditions and stationary phase selection. Comparative retention profiling against known standards supports qualitative identification in laboratory workflows.
Mass spectrometric analysis may confirm molecular weight and elemental composition. Fragmentation pathways may include cleavage adjacent to the amide linkage or imine bond. Fluorinated fragments may produce distinctive ion clusters.
Elemental composition analysis confirms the presence of three fluorine atoms, two nitrogen atoms and two oxygen atoms consistent with the registered molecular formula.
J-147 is typically encountered as a white to off-white powder under standard laboratory conditions. Crystalline or semi-crystalline behaviour may be observed depending on production batch and storage history.
As with many small organic molecules, solid-state characteristics may include defined melting transitions. Reference-grade materials are supplied to maintain structural consistency between batches.
J-147 may serve as a qualitative reference compound in structural verification workflows. Analytical procedures may include retention time comparison, spectral confirmation and comparative profiling under controlled laboratory conditions.
J-147 contains an imine (C=N) functionality connecting substituted aromatic systems. Imine groups, also referred to as Schiff-base linkages, may exist in defined geometric configurations. The IUPAC designation includes an (E)-configuration, indicating the relative spatial arrangement of substituents across the imine double bond.
The geometric configuration contributes to predictable molecular shape and steric distribution. Defined geometry is relevant in structural verification workflows, as E/Z isomerism may produce distinguishable spectroscopic characteristics under controlled analytical conditions.
The combination of electron-withdrawing trifluoromethyl substitution and electron-donating methoxy substitution generates a heterogeneous electron density distribution across the aromatic framework. This interplay influences conjugation length and may affect UV absorption characteristics typical for substituted aromatic systems.
Conjugated systems containing alternating double bonds and aromatic rings often exhibit π-electron delocalisation. Such delocalisation can contribute to characteristic UV-visible absorption maxima detectable during chromatographic analysis with UV detection.
The carbon–fluorine bond is one of the strongest single bonds in organic chemistry. The presence of three C–F bonds within the trifluoromethyl group contributes to chemical stability and distinct elemental composition. Fluorine incorporation increases molecular mass and influences fragmentation behaviour in analytical instrumentation.
Due to the high electronegativity of fluorine, adjacent carbon atoms may experience inductive effects that shift NMR resonances and influence electron density distribution within the molecule.
J-147 contains functional groups capable of participating in hydrogen bonding interactions, including amide carbonyl oxygen atoms and nitrogen atoms within the molecular structure. These heteroatoms may act as hydrogen bond acceptors under appropriate conditions.
Intermolecular interactions, including hydrogen bonding and π–π stacking between aromatic systems, can influence solid-state packing behaviour and chromatographic retention characteristics.
The molecular structure contains both polar functional groups (amide, imine) and nonpolar aromatic regions. This distribution contributes to amphiphilic characteristics that influence chromatographic behaviour.
In reversed-phase chromatography, retention is generally influenced by hydrophobic interactions between nonpolar regions of the molecule and the stationary phase. Adjustments in mobile phase composition may modulate retention time during method development procedures.
The elemental composition of J-147 includes carbon, hydrogen, fluorine, nitrogen and oxygen atoms. The presence of three fluorine atoms significantly contributes to total molecular mass relative to hydrocarbon analogues lacking halogen substitution.
Elemental analysis confirming theoretical percentages of carbon, hydrogen, nitrogen and fluorine may be used as part of identity verification workflows in controlled laboratory environments.
As a chemical reference material, J-147 is supplied for qualitative analytical purposes where consistent structural identity is required. Analytical workflows may involve comparison of spectral data, chromatographic retention and molecular mass verification against internal standards.
Reference-grade materials are intended to support reproducible laboratory procedures. Batch labeling and documentation contribute to traceability within regulated or controlled research environments.
Each unit is supplied in sealed laboratory packaging designed to maintain integrity during storage and transport. Batch labeling supports traceability and internal documentation within research environments.
Molecular structure data and selected physicochemical properties can be consulted via: J-147 on PubChem .
What is the CAS number of J-147?
The CAS number is 1146963-51-0.
In which form is J-147 supplied?
White to off-white powder in sealed laboratory packaging.
Is this product intended for human or animal use?
No. This material is supplied exclusively as a laboratory reference compound.
Is J-147 available for shipment within the EU?
Yes. Orders are supplied through the Rexar webshop in sealed laboratory packaging.
Disclaimer:
This product is intended for laboratory research use only. It is not intended for human or animal consumption, nor for medical, diagnostic or therapeutic applications.
| Intended use: | Laboratory research and analytical reference purposes only |
| Application area: | Analytical chemistry, reference comparison and method development |
| End user: | Professional users in controlled research environments |
| Regulatory classification: | Chemical reference material |
