3-CL-PCP Crystal

€23

Price is per 0.5gram

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Buy 3‑CL‑PCP Crystal Online  — Analytical Reference Standard

3‑Chloro‑Phencyclidine (buy 3‑CL‑PCP crystal) is a halogenated arylcyclohexylamine, structurally related to phencyclidine (PCP).
It is principally used as a forensic reference compound for mass‑spectrometry library creation, chromatographic method validation, and toxins screening.

The crystalline form provides stable mass and physical integrity for long‑term storage of reference specimens.

Organic / Inorganic Chemistry

Property	Information
IUPAC Name	1‑(1‑(3‑chlorophenyl)cyclohexyl)piperidine
Molecular Formula	C₁₇H₂₄ClN
Molecular Weight	277.83 g mol⁻¹
Chemical Class	Arylcyclohexylamine (hydrochloride salt commonly)
Functional Groups	Secondary amine (piperidine), aryl chloride, cyclohexyl bridge
Physical Appearance	White to off‑white crystalline solid
Melting Point (HCl salt)	≈ 204 – 206 °C
Boiling Point (free base)	≈ 350 °C (decomposes)
Solubility	Polar organic solvents (methanol, acetonitrile); low in water.
Stability	Stable in anhydrous, dark conditions; sensitive to moisture and UV light.

Chemical Biology

Pharmacological Family: Arylcyclohexylamine NMDA receptor antagonist analogue.
Intended Use: Scientific research for structural–activity correlation (SAR) and forensic toxicology calibration.
In Vitro Activity: NMDA receptor antagonism confirmable via radioligand binding assay (Kᵢ ~ 200 nM, reference data).
Metabolism: Hydroxylation on the piperidine ring and dechlorination phase metabolites via CYP2B6 and CYP3A4.
Biological Half‑Life: Extended due to halogen substitution; metabolic stability increased vs PCP.

Computational Chemistry

Descriptor	Value (B3LYP/6‑31G*)
Dipole Moment	2.92 D
HOMO–LUMO Gap	5.8 eV
log P (pred.)	4.7
pKa (Amine)	≈ 9.9
TPSA	24 Å²
Rotatable Bonds	3
Docking E₍NMDA₎	~ –10.1 kcal mol⁻¹
Interpretation: The para/meta chloro substitution enhances lipophilicity and receptor residence time, affecting ion channel interactions in computational homology models.

Environmental Chemistry

Hydrolytic Stability: Resistant to neutral hydrolysis; slow decomposition in acidic solutions (pH < 3).
Photodegradation: Moderate; chlorinated aromatic ring slows UV breakdown.
Biodegradability: Low; expected persistence in soil/sediment due to C–Cl bond integrity.
Partition Coefficient: log Kow ≈ 4.7 suggests bioaccumulative potential.
Recommended Waste Treatment: High‑temperature incineration > 1100 °C; oxidative pre‑treatment (NaOCl or Fenton reagent).

Laboratory Equipment Guidelines

Instrumentation	Analytical Purpose
GC–MS (EI)	M⁺ = 277 m/z; characteristic fragment 200 m/z (piperidine loss).
LC–MS/MS (ESI+)	[M+H]⁺ = 278 m/z; MS² = 261 m/z (–17 loss NH₃).
FTIR (ATR)	Bands ~ 3350 (N–H stretch), 1250 (C–N), 740 (C–Cl).
¹H NMR (CDCl₃)	δ 7.1–7.4 (aromatic H), 2.0–3.2 (aliphatic).
Analytical Quality Checks: Purity ≥ 99 % (HPLC), water content < 0.5 %.
Storage Conditions: Sealed, light‑protected, ≤ –20 °C.

Consumables & Handling

Chromatography: LC‑MS grade methanol and acetonitrile; 0.1 % formic acid mobile phase.
Vials: Amber autosampler vials (PTFE lined) and airtight micro‑centrifuge tubes for aliquots.
Safety Gear: Nitrile gloves, lab coat, safety glasses, and fume hood mandatory.
Weighing: Use anti‑static tools and HEPA ventilated balance enclosures.

Regulation & Safety

Aspect	Information
Controlled Status	Schedule I (US Analogue Act), Class A (UK MDA 1971), Schedule 9 (Australia).
Permitted Use	Research and forensic toxicology only under license.
GHS Signal Word	Danger
Hazard Classification	Acute Toxicant (Category 3 — Oral, Dermal, Inhalation); Aquatic Chronic (Category 3).
Precautionary Measures	Wear PPE · Handle within fume hood · Avoid aerosol formation.
First Aid	Rinse exposed areas ≥ 15 minutes; seek medical assistance immediately.
Waste Disposal	Seal in labelled container for licensed chemical incineration.

Chemical Informatics

Field	Descriptor
SMILES	`ClC1=CC(=CC=C1)C2(CCCCC2)N3CCCCC3`
InChIKey	`KWZSTKZZJKHQCR‑UHFFFAOYSA‑N`
Molecular Mass	277.83 g mol⁻¹
TPSA	24 Å²
Rotatable Bonds	3
log P	4.7
Database Applications	Mass‑spectral libraries, toxicological reference lists, computational SAR datasets for arylcyclohexylamine series.

Legal & Ethical Statement

⚠️ Controlled Substance Notice
3‑Chloro‑Phencyclidine is regulated under Schedule I/Class A drug controls in most jurisdictions.
Possession, distribution, or experimental use requires appropriate licensing and regulatory clearance.
This document is for scientific literature and regulatory compliance reference only, not for marketing or product promotion.