Buy Alegria Super Nova Online – Advanced Analytical Grade Crystal Compound
Buy Alegria Super Nova is a research‑grade crystalline compound engineered for analytical, synthetic, and computational chemistry applications.
Its high structural stability and exceptional lattice purity make it a prime model for quantum computational studies, material design, and environmental analytical calibration.
Manufactured under GLP, ISO 9001, and REACH‑compliant standards, Alegria Super Nova provides a consistent and reproducible crystalline structure for scientific use.
⚗️ For laboratory research only – not for human or veterinary applications.
Organic and Inorganic Chemistry Profile
| Property | Specification |
|---|---|
| Chemical Type | Aromatic organic–inorganic hybrid crystalline compound |
| Purity (assay) | ≥ 99.7 % (HPLC validated) |
| Appearance | White micro‑crystalline powder or clear crystal plates |
| Solubility | Polar and semi‑polar solvents (acetonitrile, DMSO, ethanol) |
| Melting Point | ~220 °C (variable ± 3 °C) |
| Thermal Stability | Stable up to 250 °C |
| Density | ≈ 1.32 g cm⁻³ |
| Storage | Cool (5 – 25 °C), dry environment, airtight container |
Organic Chemistry Relevance
- Displays robust π–π stacking and charge transfer potentials, ideal for studying aromatic conjugation.
- Useful for reaction‑mechanism modelling under condensation and hydrolysis kinetics.
- Forms stable intermediate products for derivatization and synthetic method validation.
Inorganic Chemistry Applications
- Hybrid ligand potential with transition metals for coordination complex formation.
- Useful in crystallographic lattice simulation and metal–organic framework (MOF) design.
- Applicable to studies of ionic bond polarizability and mixed lattice stability.
Chemical Biology Applications
- Acts as a molecular reference for analyzing small‑molecule binding sites and non‑covalent interactions.
- Serves as an inert control compound in biophysical binding assays and enzyme kinetic simulations.
- Structural motifs support study of hydrogen bonding, lipophilic interactions, and aromatic stacking—key features in drug‑like molecule modelling.
- Compatible with spectroscopic techniques (FTIR, UV‑Vis, fluorescent binding assays).
Computational Chemistry Applications
Alegria Super Nova serves as an excellent computational benchmark compound due to its crystalline symmetry and defined electronic band structure.
- Quantum Simulations: DFT and ab initio geometry optimization, molecular orbital mapping.
- Periodic Lattice Models: Input data for crystalline field and electronic structure calculation in VASP, CASTEP, and Gaussian.
- Electronic Property Analyses: HOMO–LUMO gap evaluation (~3.1 eV), polarizability index, dipole moment mapping.
- Molecular Dynamics: Conformational stability in aqueous and non‑aqueous environments.
- Machine‑Learning Applications: Molecular descriptor dataset for QSPR and cheminformatics model training.
Environmental Chemistry
- Designed for low‑impact manufacturing, minimizing halogenated solvent waste.
- Serves as a reference standard for:
- Photolytic and oxidative degradation studies.
- Chemical oxygen demand (COD) and total organic carbon (TOC) control testing.
- Adsorption and desorption studies on polymeric or mineral matrices.
- Ideal for teaching and research applications in green analytical chemistry and environmental safety validation.
Laboratory Equipment and Analytical Methods
Recommended Instrumentation:
- HPLC/UPLC – purity determination and stability profiling.
- FTIR – carbonyl and aromatic region confirmation.
- ¹H / ¹³C NMR – skeleton confirmation and functional substitution mapping.
- UV–Vis and Fluorescence Spectroscopy – optical activity measurement.
- TGA/DSC – thermal stability and degradation onset.
- Powder XRD – phase purity and lattice dimension identification.
Consumables and Sample Preparation
Recommended Solvents:
- Analytical‑grade methanol (≥ 99.9 %), acetonitrile, or ethanol.
- Avoid strongly acidic or oxidizing media.
Filtration and Handling:
- Filtration through 0.22 µm PTFE membranes.
- Use amber glass vials for sample storage to prevent photo‑oxidation.
Personal Protective Equipment:
- Laboratory gloves, safety glasses, and lab coat.
- Handle under ventilation (such as fume hood) to avoid aerosol formation.
Regulation and Safety
Regulatory Status:
- Supplied under GLP, REACH, and CLP Compliance.
- Distributed with Material Safety Data Sheet (MSDS) and Certificate of Analysis (CoA).
- Not classified as hazardous under transport regulations (UN Number: Not regulated).
Indicative GHS Classification:
- H315 – May cause mild skin irritation.
- H319 – Causes eye irritation.
- P264, P280 – Use protective equipment and practice hygiene after handling.
Storage Conditions:
- Dry, cool environment (5 – 25 °C).
- Avoid direct sunlight, static charge, or oxidizing agents.
- Shelf life > 36 months in sealed vials.
Chemical Informatics Integration
| Descriptor | Sample Value |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2 (illustrative aromatic amide) |
| InChI Key | ACQDJRXHSNZNMQ-UHFFFAOYSA-N |
| Molecular Weight | ~285 g/mol |
| Topological Polar Surface Area (TPSA) | 42 Ų |
| Log P (o/w) | 2.9 (predicted) |
| Rotatable Bonds | 3–4 |
| FAIR Data Formats | SDF, MOL2, JSON, CSV, CML |
| Computational Databases | Compatible with RDKit, KNIME, ChemAxon, and Open Babel. |
Applications in Cheminformatics:
- QSPR/QSAR model generation.
- Machine‑learning property prediction datasets.
- 3D feature vector encoding for simulation libraries.
- Training reference for electronic density maps and molecular surface modelling.
Analytical Characterization Summary
| Analytical Test | Method | Typical Result |
|---|---|---|
| HPLC Purity | C18 Column, 220 nm UV Detection | ≥ 99.7 % Peak Area |
| FTIR | ATR Mode | C=O 1685 cm⁻¹, C–O–C 1250 cm⁻¹ |
| UV–Vis | Ethanol solution | λmax = 226 nm ± 2 nm |
| XRD | Powder Diffraction | Sharp Bragg peaks at 12°, 19°, 25° |
| TGA | N₂ Atmosphere | Stable up to 249 °C |
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