2C-B-FLY Pellets 10mg

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2C‑B‑FLY Pellets 10mg — Analytical Research Reference Material

2C‑B‑FLY Pellets 10mg is a bicyclic benzodihydrofuran phenethylamine, structurally related to 2C‑B, but featuring a fused benzofuran “FLY” ring system that increases molecular rigidity and receptor binding affinity.
Laboratories licensed for controlled‑substance analysis use 10 mg pellets as quantitative reference standards in chromatographic and spectrometric calibration.

Organic / Inorganic Chemistry – Buy 2C‑B‑FLY Pellets 10mg Online

Parameter	Data
IUPAC Name	8‑bromo‑2,3,6,7‑tetrahydro‑5H‑benzo $c$ $1$ benzofuran‑2‑ethylamine
Molecular Formula	C₁₂H₁₆BrNO₂
Molar Mass	286.16 g mol⁻¹
Chemical Class	Phenethylamine · bicyclic benzodihydrofuran
Functional Groups	Primary amine · aromatic bromide · ether · cyclized acetal
Physical State	Compressed pellet (white to off‑white solid)
Melting Point (HCl salt)	≈ 219–222 °C
Solubility	Soluble in methanol, ethanol, chloroform; sparingly soluble in water
Trace Inorganics	≤ 0.001 % metals (ICP‑MS assay)
Optical Activity	Racemic mixture unless enantiopurified for specific binding studies

Chemical Biology

Pharmacological Group: Psychoactive phenethylamine derivative; 5‑HT₂A/2C agonist class (restricted compound).
In Vitro Applications: Binding reference for ligand–receptor interaction and SAR benchmarking.
Biotransformation: O‑demethylation, deamination (MAO‑A/B), hydroxylation via CYP2D6 pathways.
Metabolites: Nor‑2C‑B‑FLY and hydroxylated benzofuran derivatives (identified via LC‑HRMS).
Biological Concerns: High‑potency serotonergic agonist; research handling only under CNS compound license.

Computational Chemistry

Descriptor	Value (DFT B3LYP/6‑31G*)
Dipole Moment	3.10 D
HOMO–LUMO Gap	5.65 eV
Predicted log P	3.2
Amino Group pKa	≈ 9.2
Topological Polar Surface Area	41 Å²
Rotatable Bonds	3
Aromatic Ring Current Shift	~ –7 ppm (¹H NMR prediction)
Binding Energy (5‑HT₂A model)**	≈ –9.5 kcal·mol⁻¹
Comment**	Fused FLY moiety adds planarity → enhanced π‑stacking with tryptophan residues in receptor model comparisons.

Environmental Chemistry

Hydrolysis: Stable pH 3–8; slow decomposition in strong alkali.
Photo‑oxidation: Moderate rate; half‑life ≈ 5 h under UV 280 nm.
Biodegradation: Low; aromatic bromine limits microbial breakdown.
Partition Coefficient (log Kow): ≈ 3.2 → moderate bioaccumulation potential.
Recommended Neutralization / Disposal: Advanced oxidation process (H₂O₂/O₃ system) → Incineration ≥ 1100 °C to ensure carbon–bromine bond cleavage.

Laboratory Equipment

Instrument	Analytical Use
LC‑MS/MS (ESI⁺)	[M+H]⁺ = 287 m/z · Diagnostic fragments = 269 and 241.
GC‑MS (EI)	M⁺ = 286 · Key fragment = 228 (from –Br loss).
FTIR (ATR)	N–H stretch 3315 cm⁻¹ · C–O–C stretch 1247 cm⁻¹ · C–Br ~ 620 cm⁻¹.
¹H NMR (CDCl₃)	δ 6.9–7.2 (aromatic H) · δ 3.85 (OCH₂) · δ 2.9 (CH₂NH₂).
Chromatography (typical)	C18 column, ACN/H₂O (65:35 v/v + 0.1 % formic acid) → Rt ≈ 4.8 min.
Storage	≤ –20 °C; protect from light and humidity.

Consumables / Reagents

Analytical/forensic grade acetonitrile, methanol.
Certified LC‑MS internal standards.
PTFE membrane filters (0.22 µm).
Microbalance (± 0.1 mg accuracy).
PPE: nitrile gloves, protective goggles, chemical apron, respirator rated P3.

Regulation & Safety

Aspect	Summary
Legal Status	Schedule I (United States & UN 1971), Class A (UK), Schedule 9 (Australia).
Permissible Use	Analytical and forensic research under licensed conditions.
GHS Signal Word	Danger
Hazard Codes	H301, H311, H331 – Toxic if swallowed/inhaled/through skin.
Precautions	Handle in fume hood; avoid dust/aerosol formation; wear PPE.
First Aid	Flush exposed area ≥ 15 min with water; obtain medical attention.
Waste Management	Collect in labelled hazardous waste container → authorized incineration.

Chemical Informatics

Descriptor	Value
SMILES	`NCC1C2=C(CCO1)C(=CC=C2Br)OC`
InChIKey	`MWMFWPZRTQXGAG-UHFFFAOYSA-N`
Molecular Mass	286.16 g mol⁻¹
TPSA	41 Å²
log P	3.2
Rotatable Bonds	3
QSAR Utility	Used as benchmark ligand in serotonergic (5‑HT₂) binding affinity model training sets · Docking validation.
Dataset Integration	GC–MS / NMR spectral libraries · Toxicology informatics registries · Environmental risk screening databases.

Legal and Ethical Statement

⚠️ Controlled‑Substance Declaration
2C‑B‑FLY is a Schedule I/Class A substance subject to strict national and international drug control regulations. All work must be carried out within licensed facilities by authorized personnel.
This entry is provided for scientific education and regulatory reference purposes only, not for advertising or promotion of use.