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PRL-8-53 is supplied by Rexar as a chemical reference material for analytical chemistry, structural verification and laboratory-based comparison workflows. This material is intended exclusively for controlled research environments requiring verified chemical identity, reproducible analytical characteristics and defined structural consistency.
PRL-8-53 (CAS 51352-87-5) is available directly through the Rexar webshop and supplied in sealed laboratory packaging for distribution within the European Union.
Rexar Technical Compound Datasheet (PDF)
PRL-8-53 is structurally classified as a substituted benzoate ester bearing a tertiary amine side chain. The molecule consists of a methyl benzoate core substituted at the meta position with a 2-[benzyl(methyl)amino]ethyl functional group.
This configuration results in a compound combining aromatic, ester and tertiary amine functionalities within a single molecular framework. The coexistence of hydrophobic aromatic rings and polar amine groups contributes to a defined balance of physicochemical properties.
PRL-8-53 | CAS: 51352-87-5 | Molecular formula: C18H22ClNO2 | Molecular weight: 319.83 g/mol.
The molecular structure includes an aromatic benzoate ring, an ester linkage and a tertiary amine moiety. The ester functionality may be identified through characteristic carbonyl stretching bands in infrared spectroscopy.
The tertiary amine nitrogen contributes to protonation behavior under acidic conditions, influencing solubility and chromatographic retention characteristics.
The benzene ring within the benzoate core provides electron delocalization typical of aromatic systems. This contributes to defined UV absorbance regions and allows spectrophotometric detection under analytical conditions.
The benzyl substituent introduces an additional aromatic ring, further increasing hydrophobic character and contributing to distinct NMR chemical shift regions.
The tertiary amine functionality can undergo protonation in acidic environments. While PRL-8-53 is typically referenced in neutral form, laboratory conditions may influence ionization states depending on solvent system and pH.
Such protonation equilibria may affect chromatographic behavior and peak shape in analytical methods.
PRL-8-53 may display moderate to strong retention in reversed-phase HPLC systems due to its aromatic and hydrophobic components. Gradient optimization and buffer selection can improve resolution and peak symmetry.
Retention behavior may vary depending on solvent polarity, stationary phase composition and temperature conditions.
Under suitable ionization conditions, PRL-8-53 produces a molecular ion corresponding to its molecular weight of 319.83 g/mol. Fragmentation patterns often reflect cleavage at the ester linkage or tertiary amine side chain.
These fragmentation pathways assist in compound confirmation during LC-MS or high-resolution mass spectrometric analysis.
Proton NMR analysis reveals distinct aromatic proton signals, aliphatic chain resonances and characteristic methyl ester peaks. Carbon NMR may confirm the presence of carbonyl carbon and aromatic carbon environments.
Infrared spectroscopy typically displays absorption bands corresponding to ester carbonyl stretching and aromatic ring vibrations.
As a crystalline powder, PRL-8-53 may exhibit defined melting behavior and solid-state packing influenced by intermolecular interactions between aromatic rings.
Storage under dry, controlled temperature conditions supports structural stability and minimizes moisture exposure.
The aromatic rings may participate in π-π stacking interactions within the crystalline lattice. The tertiary amine may engage in weak hydrogen bonding interactions when protonated.
Such interactions can influence powder flow properties and crystalline morphology.
Within benzoate-derived tertiary amine compounds, PRL-8-53 occupies a structurally distinct position due to its meta-substituted configuration and benzyl-containing side chain.
The defined arrangement of ester and amine functionalities differentiates it from structurally related benzoate derivatives in analytical profiling.
PRL-8-53 may be used as a qualitative reference material in laboratory workflows including retention time comparison, spectral confirmation and analytical method development.
Molecular structure data and selected physicochemical properties can be consulted via the public database: PRL-8-53 on PubChem
The meta-substituted configuration of the benzoate ring defines the spatial orientation of the tertiary amine side chain. This positioning may influence steric interactions during chromatographic separation and intermolecular packing in the solid state.
The benzyl group introduces additional rotational freedom around the methylene linkage, contributing to conformational adaptability in solution-phase analysis.
PRL-8-53 contains two aromatic rings that contribute hydrophobic character, while the ester and tertiary amine functionalities provide polar interaction sites. This amphiphilic balance influences solvent compatibility and retention characteristics.
Under reversed-phase conditions, hydrophobic interactions typically dominate retention behavior, while ionization state may modulate peak symmetry.
The molecular formula includes chlorine, which contributes to identifiable isotopic patterns in mass spectrometric analysis. The presence of chlorine allows confirmation via characteristic isotopic distribution ratios.
Elemental composition analysis (C, H, N, Cl) supports verification of theoretical molecular parameters during quality assessment.
Aromatic stacking interactions may contribute to defined crystalline packing arrangements. Such interactions can influence melting behavior and powder morphology.
Thermal stability studies under controlled laboratory conditions may assess degradation onset temperatures and phase transitions.
The aromatic chromophores within PRL-8-53 allow detection in UV spectroscopic systems. Defined absorbance maxima support analytical quantification in chromatographic workflows.
Method validation procedures may involve wavelength optimization to enhance detection sensitivity and reduce baseline interference.
Within structurally related benzoate-derived tertiary amines, PRL-8-53 may be distinguished through its specific substitution pattern and benzyl side chain configuration.
This structural differentiation supports its use as a reference compound in comparative profiling environments.
When stored under recommended dry and temperature-controlled conditions (8–20 °C), PRL-8-53 maintains physical stability over extended periods.
Protection from excessive moisture and prolonged UV exposure supports consistent analytical reproducibility.
What is the CAS number of PRL-8-53?
The CAS number is 51352-87-5.
In which form is PRL-8-53 supplied?
This product is supplied as a white to off-white crystalline 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 PRL-8-53 available for shipment within the EU?
Yes. Orders are supplied via 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 |
