3‑Fluoro‑Phencyclidine – Buy 3F‑PCP Crystals Online — Analytical Reference Standard
Buy 3F‑PCP Crystals (3‑fluoro‑1‑[1‑(1‑phenylcyclohexyl)piperidine]) is a halogenated arylcyclohexylamine derivative of phencyclidine (PCP).
In regulatory and academic settings, it serves as a reference material for forensic toxicology, mass‑spectra validation, and receptor binding comparisons across PCP analogues.
Organic / Inorganic Chemistry
| Property | Information |
|---|---|
| IUPAC Name | 1‑[1‑(3‑fluorophenyl)cyclohexyl]piperidine |
| Molecular Formula | C₁₇H₂₄FN |
| Molecular Weight | 261.38 g · mol⁻¹ |
| Chemical Class | Arylcyclohexylamine |
| Functional Groups | Tertiary amine (piperidine), aryl fluoride, cycloalkane |
| Appearance | Off‑white to white crystalline solid |
| Melting Point | ≈ 193 – 195 °C (as hydrochloride salt) |
| Solubility | Soluble in organic solvents (ethanol, chloroform); slight water solubility |
| Stability | Stable in anhydrous conditions; photo‑ and oxidation‑sensitive |
Chemical Biology
- Class: NMDA receptor antagonist / arylcyclohexylamine derivative.
- Research Utility: Pharmacological model compound for receptor affinity mapping (NMDA, σ, DAT).
- Fluoro Substitution Effect: 3‑F position modulates electronic distribution on the phenyl ring, altering binding at the NMDA channel site.
- Metabolism (in vitro): N‑oxidation, piperidine ring hydroxylation, and fluorophenyl hydroxylation.
- Applications: Used as analytical standard for LC–MS targeted toxicology screens.
Computational Chemistry
| Descriptor | Predicted Value (DFT B3LYP/6‑31G*) |
|---|---|
| Dipole Moment | 3.07 D |
| HOMO–LUMO Gap | 5.6 eV |
| log P (pred.) | 4.55 ± 0.15 |
| pKa (piperidine) | 10.6 |
| TPSA | 21 Ų |
| Rotatable Bonds | 4 |
| Docking Energy (NMDA receptor) | ≈ –8.9 kcal · mol⁻¹ |
| Computational Note: 3‑F atom increases lipophilicity and dipolar fit to hydrophobic pocket regions within ligand binding domain. |
Environmental Chemistry
- Persistence: Moderate due to aryl fluoride bond stability.
- Hydrolysis: Stable at neutral pH; slow N‑oxide formation under strong oxidants.
- Photolysis: Generates fluorophenols and cyclohexanone derivatives.
- Biodegradability: Low (microbial cleavage of aryl C–F bond is inefficient).
- Waste Treatment: Destruction via controlled high‑temperature incineration (> 1100 °C).
Laboratory Equipment
| Technique | Analytical Application |
|---|---|
| GC–MS | M⁺ = 261 m/z; dominant fragments 86 (piperidine), 200 (aromatic base). |
| LC–MS/MS | [M+H]⁺ = 262 m/z; product ion → 91 m/z (benzyl fragment). |
| FTIR (ATR) | C–F stretch ≈ 1107 cm⁻¹; C–N ≈ 1212 cm⁻¹; Ar C–H ≈ 3040 cm⁻¹. |
| ¹H NMR (400 MHz) | δ 7.2 – 7.4 (Ar–H, fluoro shifted), 2.5 (piperidine CH₂), 1.3 (cyclohexyl H). |
| Storage Conditions | Cool (≤ –20 °C), dry, amber vial, nitrogen atmosphere. |
Consumables
- Chromatography grade methanol, acetonitrile, water.
- Formic acid (0.1 %) mobile phase modifier.
- Reference standards for related PCP analogues (for comparative spectra).
- Amber autosampler vials and PTFE liners to avoid fluoro‑compound adsorption.
- PPE: nitrile gloves, lab coat, chemical goggles, P3/FFP3 mask for microcrystalline handling.
Regulation & Safety
| Aspect | Information |
|---|---|
| Controlled Status | Schedule I (US); Class A (UK); controlled under UN Psychotropics Convention. |
| Permitted Use | Analytical work by licensed entities only. |
| GHS Signal Word | Danger |
| Hazard Statements | H301: Toxic if swallowed; H311: Toxic in contact with skin; H331: Toxic if inhaled. |
| Precautions | Use in fume hood; avoid inhalation of powder; secure storage in controlled substance locker. |
| First Aid Measures | Flush exposed area with water ≥ 15 min; seek medical attention immediately. |
| Waste Handling | Collect in sealed halogenated‑amine waste container; incinerate under license. |
Chemical Informatics
| Field | Data |
|---|---|
| SMILES | Fc1cccc(c1)C2(CCCCC2)N3CCCCC3 |
| InChIKey | VPCYRCCFONPYGV‑UHFFFAOYSA‑N |
| CAS Ref. | 1048973‑47‑8 |
| Molecular Weight | 261.38 g · mol⁻¹ |
| log P | 4.55 (pred.) |
| TPSA | 21 Ų |
| Rotatable Bonds | 4 |
| Applications | Spectral libraries (LC–MS/GC–MS), SAR studies, forensic identification datasets. |
Legal & Ethical Notice
⚠️ Controlled‑Substance Compliance Statement
3‑Fluorophencyclidine (3F‑PCP) is a regulated arylcyclohexylamine under international drug control law.
Handling and storage are restricted to government‑approved laboratories—with documentation of chain of custody, waste control, and audit trail.
Information provided here serves educational and regulatory reference purposes only; not for promotion, sale, or human exposure.
Be the first to review “3F-PCP Crystal”
Related products
Research Chemicals
Research Chemicals
Research Chemicals
Research Chemicals
Research Chemicals
Research Chemicals
Research Chemicals
Research Chemicals
Reviews
There are no reviews yet.