2C-B-FLY 10mg Blister

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2C‑B‑FLY 10mg Blister — Analytical Reference Standard

2C‑B‑FLY 10mg Blister is a bicyclic phenethylamine possessing a rigid benzodihydrofuran ring (“FLY”) that confers conformational restriction and increases affinity at serotonergic receptor sites. The 10 mg blister presentation is intended for trace analytical calibration, enabling precise quantitation in forensic toxicology or environmental residue detection studies under an approved license.

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

Property	Value
IUPAC Name	8‑bromo‑2,3,6,7‑tetrahydro‑5H‑benzo[c][1]benzofuran‑2‑ethylamine
Molecular Formula	C₁₂H₁₆BrNO₂
Molecular Weight	286.16 g mol⁻¹
Chemical Class	Phenethylamine derivative · bicyclic benzodihydrofuran
Functional Groups	Primary amine · aromatic bromide · ether · fused cyclic acetal
Physical Form	Compressed pellet in blister · white to off‑white solid
Melting Point (HCl salt)	≈ 220 °C
Solubility	Soluble in methanol, ethanol, chloroform; partially in water
Inorganic Residue	< 0.001 % trace metals by ICP‑MS
Optical Activity	Typically racemic mix unless stated otherwise for chiral studies

Chemical Biology

Pharmacological Group: Serotonergic phenethylamine (5‑HT₂A/2C receptor agonist).
Biosafety Note: Controlled compound; no biological testing without appropriate authorization.
Laboratory Application: Used as reference compound in SAR analysis, binding affinity modeling, and metabolite profiling by LC‑HRMS.
Biotransformation Pathways: O‑demethylation, aromatic hydroxylation, and oxidative deamination (MAO‑A mediated).
Toxicological Flag: Potent CNS‑active molecule; handle only under strict containment.

Computational Chemistry

Descriptor	Value (DFT B3LYP / 6‑31G*)
Dipole Moment	3.08 D
HOMO–LUMO Gap	5.68 eV
Predicted log P	3.1
Amino Group pKa	≈ 9.3
Topological Polar Surface Area	41 Å²
Rotatable Bonds	3
Binding Affinity (5‑HT₂A model)**	≈ –9.4 kcal mol⁻¹
Comment**	Rigid FLY scaffold enhances π‑stacking and H‑bond alignment within serotonin receptor binding pocket, useful for computational benchmarking.

Environmental Chemistry

Hydrolysis Stability: Stable in neutral pH solutions (5–8).
Photolysis: Moderate; UV half‑life ≈ 4 h at 280 nm emission.
Persistence: Halogenated aromatic structure limits biodegradability.
Partition Coefficient (log Kow): ≈ 3.1 — moderate bioaccumulation concern.
Reactivity: Undergoes oxidative cleavage in H₂O₂/UV AOP systems.
Recommended Disposal: Advanced oxidative digestion → high‑temperature incineration (≥ 1100 °C).

Laboratory Equipment

Instrument	Analytical Purpose
LC–MS/MS (ESI⁺)	[M+H]⁺ = 287 m/z · Characteristic fragments 269, 241.
GC–MS (EI)	Base peak = 228 m/z (after loss of Br).
FTIR (ATR)	N–H stretch 3310 cm⁻¹ · C–O 1247 cm⁻¹ · C–Br 620 cm⁻¹.
¹H NMR (CDCl₃)	δ 6.9–7.2 (aromatic) · δ 3.9 (OCH₂) · δ 2.9 (CH₂NH₂).
Typical Retention Time	4.8 min (C18, ACN/H₂O 65:35 + 0.1 % formic acid).
Storage	≤ –20 °C, light‑protected, vacuum‑sealed within blister holder.

Consumables and Reagents

LC‑MS grade solvents (acetonitrile, methanol).
Volumetric vials and amber autosampler tubes.
PTFE filters (0.22 µm).
Calibrated microbalance (± 0.01 mg).
PPE: nitrile gloves, chemical goggles, antistatic lab coat, P3 respirator.

Regulation & Safety

Aspect	Specification
Legal Status	Schedule I (USA, UN 1971); Class A (UK MDA 1971); Schedule 9 (Australia).
Permitted Use	Analytical reference standard under controlled license conditions.
GHS Signal Word	Danger
Hazard Codes	H301, H311, H331 – Toxic if swallowed/inhaled/through skin.
Handling Precautions	Conduct operations in fume hood; use airtight containment devices.
Emergency Actions	Flush area ≥ 15 min; seek medical attention immediately.
Waste Management	Label as hazardous organic waste; disposal via licensed incinerator.

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	3.1
Rotatable Bonds	3
QSAR Use‑Case	Benchmark ligand for serotonergic receptor affinity predictions (5‑HT₂A subset).
Database Integration	Forensic GC–MS reference libraries · CHEMINF registry · environmental toxicant databases.

Legal and Ethical Statement

⚠️ Controlled‑Substance Notice
2C‑B‑FLY is internationally regulated under Schedule I/Class A provisions. Its handling or possession requires specific government authorization. This document is provided for scientific and regulatory reference purposes only and shall not be used to advertise or encourage use of the compound.