Bromazolam Pellets 3mg

Buy Bromazolam Pellets 3mg Online — Research‑Grade Analytical Reference Material

Overview

Buy Bromazolam Pellets 3mg (8‑bromo‑1‑methyl‑6‑phenyl‑4H‑[1,2,4]triazolo[4,3‑a][1,4]benzodiazepine) is a triazolobenzodiazepine derivative developed as a reference analyte for chromatographic, spectroscopic, and computational chemistry applications.
The 3 mg pellet formulation ensures precise handling in analytical method validation and research‑based calibration protocols. Each pellet is formulated for uniform mass tolerance (± 0.05 mg) and ≥ 99 % HPLC purity, meeting high standards for instrumental analysis and chemical modeling.

⚠️ For laboratory research and forensic reference only. Not for human or veterinary use.

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Chemical Identity

• IUPAC Name: 8‑Bromo‑1‑methyl‑6‑phenyl‑4H‑[1,2,4]triazolo[4,3‑a][1,4]benzodiazepine
• Chemical Formula: C17H13BrN4
• Molecular Weight: 369.22 g/mol
• Chemical Class: Triazolobenzodiazepine / Organobromine heterocyclic compound
• Synonyms: Bromazolam; TZ‑9537
• Purity: ≥ 99.0 % (HPLC verified)
• Form: 3 mg pellets in sealed amber container
• Appearance: White to pale yellow compressed pellets
• Grade: Analytical / Reference standard
• CAS Number: 71368‑80‑4

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Applications Across Chemistry Disciplines

Organic & Inorganic Chemistry

• Exhibits dual heterocyclic systems (benzodiazepine + 1,2,4‑triazole), enabling study of π‑electron delocalization, amide resonance, and aromatic stabilization energy.
• The bromo‑phenyl substitution provides insight into electrophilic aromatic substitution and C–Br bond activation mechanisms.
• Commonly used in cross‑coupling reaction modeling (Suzuki, Heck, Sonogashira type), exploring Pd–C and Ni–Br bond formation.
• Functions as a molecular probe for tautomerism and acid/base catalyzed ring transformations.
• In inorganic contexts, it behaves as a soft–base ligand simulator in theoretical metal–ligand interaction studies.

Chemical Biology

• Serves as a model heterocycle for structure–activity relationship (SAR) modeling of nitrogen‑rich bio‑analogues.
• Utilized in computational (neural network based) simulations of GABA_A receptor mimics and non‑biological binding tests.
• Useful for pH‑stability and lipophilicity assays, generating predictive partition coefficient data.
• Investigated for its hydrogen bonding and π–π stacking interactions, key to ligand–protein docking algorithms (non‑pharmacological).

Computational Chemistry

• Benchmark molecule for DFT (B3LYP/6‑311G) electronic density mapping and orbital energy gap analysis.
• Used to parameterize HOMO–LUMO, molecular electrostatic potential maps (MEP), and polarizability tensors.
• Frequently included in MD simulation datasets to evaluate N–N bridge rotation and azole ring flexibility.
• Valuable in QSAR/QSPR training datasets and machine learning (ML) model validation for heteroaromatic systems.

Environmental Chemistry

• Functions as a controlled‑standard for trace benzodiazepine pollutant screening in wastewater analysis via LC–MS/MS.
• Used to assess the persistence, sorption coefficients (Koc, Kow), and photo‑degradation rates of organic micropollutants.
• Ideal calibration compound for developing AOP (Advanced Oxidation Process) reaction models in halogenated heterocycles.
• Integrated into environmental mass spectral libraries to differentiate structurally‑similar benzodiazepine residues.

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Laboratory Equipment & Consumables

Recommended Instrumentation

• HPLC / LC–MS/MS: Quantitative purity and isomer analysis
• FTIR: Characteristic amide/azole stretch bands ~ 1660 cm⁻¹ and 1570 cm⁻¹
• ¹H / ¹³C NMR: Aromatic and triazole proton signature confirmation
• UV–Vis: Absorption maxima around 245–275 nm (range depends on solvent)
• DSC / TGA: Thermal stability and phase transition behavior

Essential Lab Consumables

• Analytical grade solvents: acetonitrile, methanol, chloroform, DMSO.
• Precision microbalances and calibrated pipettes.
• Amber glass storage vials with PTFE lining.
• PPE: ISO‑certified nitrile gloves, safety goggles, lab coat.
• Desiccator for humidity control and sample preservation.

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Regulation & Safety

Regulatory Status

• Research use only; not authorized for pharmaceutical or human applications.
• Subject to controlled substance monitoring in various jurisdictions (consult national chemical schedules prior to acquisition).
• Must be handled in secure, licensed laboratory facilities when applicable.

GHS Classification (Indicative)

⚠️ Harmful if swallowed (Category 4)
⚠️ Causes skin/eye irritation (Category 2A)
⚠️ Aquatic Christic hazard (Category 3)

Safety Guidelines

• Operate within fume hood environment.
• Avoid exposure to moisture and oxidizing agents.
• Dispose of residues following EPA, REACH, and OSHA chemical safety protocols.
• Supplied with Safety Data Sheet (SDS) and Certificate of Analysis (CoA) for traceability.

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Chemical Informatics Integration

• Canonical SMILES: Cn1c2cc(Br)ccc2n2ncc(c12)c3ccccc3
• InChIKey: (Available on CoA for database input)
• Descriptors included: MW, TPSA, log P, dipole moment, H‑bond donors/acceptors.
• Integration‑ready for: ChemAxon JChem, RDKit, KNIME, Open Babel, and Biovia Draw.
• Supports AI/ML based compound screening and QSAR/QSPR prediction frameworks.
• Dataset designed for FAIR data compliance (Findable, Accessible, Interoperable, Reusable).

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Analytical Characterization Summary

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Storage & Stability

• Store between 15–25 °C, dry and protected from light.
• Use airtight amber vials with desiccant packs.
• Shelf life: 24 months (minimum) under proper storage conditions.
• Avoid exposure to oxidizers or UV radiation to maintain structural integrity.

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SEO Optimized Keywords

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