Beta-k-2C-B βk-2C-B 80mg Blister

Buy Beta-k-2C-B βk-2C-B 80mg Blister Online

Overview

Beta-k-2C-B βk-2C-B 80mg Blister (Beta‑keto‑2C‑B) is a phenethylamine‑derived arylalkylamine belonging to the β‑keto substituted 2C series.
The compound is intended solely as a reference standard to support instrumental method development, chromatographic calibration, and theoretical molecular research.

⚗️ Analytical Research Use Only – Not for human or veterinary application.
Supplied in controlled 80 mg blisters for precision handling and traceability.

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Organic and Inorganic Chemistry Profile

Organic Chemistry Context:

• Features a β‑keto moiety adjacent to an aromatic system with bromo‑substitution and methoxy donor groups.
• Useful for studying electrophilic substitution, oxidative de‑bromination, and carbonyl stability mechanisms.
• Provides an excellent example of resonance effects and C–Br bond reactivity in organobromine chemistry.

Inorganic Relevance:

• The bromine atom acts as an X‑ray‑identifiable marker for metal–halogen interaction or organometallic complexation studies, especially with Cu²⁺ and Pd²⁺ ions.

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Chemical Biology

• Serves as a non‑biological template in studies of amine oxidation, N‑acetyl metabolism, and phenolic O‑methyl transfer reactions.
• Enables structure–activity relationship (SAR) analysis within halo‑substituted phenethylamine series for virtual biochemical screening.
• Supports modeling of ligand‑binding geometry for amine transporters and enzymes using in silico approaches.
• Applied in chemical biology for protein–small molecule docking simulations — without bioassays or pharmacological testing.

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Computational Chemistry Applications

• Widely used for Density Functional Theory (DFT) and Molecular Orbital studies of halogenated aromatic systems.
• Investigated for:
  - HOMO–LUMO gap analysis
  - Electrostatic potential mapping (MEP)
  - Vibrational frequency predictions
  - Solvation energetics in methanol and water media
• Ideal for training QSAR/QSPR models in chemical informatics platforms (e.g., RDKit, KNIME, Schrödinger).
• The presence of both EWG (Br) and EDG (OCH₃) groups provides complex polarization behavior valuable for quantum mechanical benchmarking.

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Environmental Chemistry

• Reference compound for wastewater trace analysis and forensic environmental monitoring using LOD ≤ 10 ng/L (LC‑MS/MS).
• Employed in studies on photolytic degradation, advanced oxidation (OH radical) kinetics, and halogen loss pathways.
• Used to test adsorption onto activated carbon and zeolite surfaces in pollutant modeling.
• Supports environmental chemistry curricula on emerging aromatic halogenated organics.

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Laboratory Equipment and Analytical Methods

Instrumentation

• HPLC/UPLC for purity profiling and retention factor measurement.
• GC–MS and LC‑HRMS for fragmentation analyses (m/z = 291 [M+H]⁺).
• FTIR for C=O stretch (1700–1685 cm⁻¹) and C–Br band (~610 cm⁻¹).
• ¹H/¹³C NMR for methoxy and α‑carbon chemical shift confirmation.
• UV‑Vis for π → π* transitions in methanolic solution (~225 nm).

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Consumables and Preparation

• Analytical Solvents: acetonitrile, methanol, and chloroform (HPLC grade).
• Glassware: amber autosampler vials with PTFE‑sealed caps.
• Microbalances: precision ± 0.1 mg for sample standardization.
• Safety Supplies: nitrile gloves, lab coat, fume hood ventilation, and eye protection.
• Store prepared solutions below 8 °C and protect from UV light to avoid oxidation.

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Regulation and Safety

Regulatory Status

• Classified as a research chemical standard and may be controlled in certain jurisdictions (2C‑series analogue legislation).
• Distribution restricted to registered R&D entities and licensed analytical centers.
• Fully complies with GHS and REACH data requirements for laboratory use.

Hazard Classification (GHS Indicative):
- H315: Causes skin irritation
- H319: Causes serious eye irritation
- H335: May cause respiratory irritation
- H410: Very toxic to aquatic life with long‑lasting effects

Safety Guidelines

• Avoid dust formation and inhalation.
• Do not release into drainage systems.
• Disposal must follow OECD/EPA guidelines for halogenated organic waste.
• MSDS and CoA supplied with each lot for traceability.

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Chemical Informatics Data

Such cheminformatics-ready metadata facilitates integration into toxicology models, spectral databases, and virtual screening repositories.

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Storage and Stability

• Store below 25 °C in a dry, dark environment under inert gas protection.
• Shelf life ≥ 24 months when unopened.
• Avoid extended moisture exposure — the β‑keto group can undergo slow hydration under humid conditions.

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Analytical Characterization Summary

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SEO Optimized Keywords

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