4-BMC Crystals

Category: Research Chemicals

Description
Reviews (0)

4‑Bromomethcathinone – Buy 4‑BMC Crystals Online — Analytical Reference Standard

Buy 4‑BMC crystals (4‑bromo‑2‑amino‑1‑phenyl‑1‑propan‑1‑one) is a synthetic cathinone structurally related to mephedrone and buphedrone.
Its research relevance lies in comparative structure–activity analysis, GC/LC‑MS method validation, and halogen‑substituted cathinone metabolism studies under controlled laboratory conditions.

Organic / Inorganic Chemistry

Property	Information
IUPAC Name	1‑(4‑bromophenyl)‑2‑(methylamino)‑1‑propan‑1‑one
Molecular Formula	C₁₀H₁₂BrNO
Molecular Weight	242.11 g · mol⁻¹
Chemical Class	Aryl ketone (β‑keto amphetamine derivative)
Functional Groups	Ketone (C = O), secondary amine (–NH–), aryl bromide (–Br)
Appearance	White to pale‑cream crystalline powder
Melting Point	≈ 187 – 190 °C (HCl salt)
Solubility	Alcohols, chloroform, and dilute HCl; moderate in water
Stability	Stable in anhydrous conditions; sensitive to UV and oxidation

Chemical Biology

Chemical class: Substituted cathinone (amphetamine analogue with keto group).
Uses in licensed research: Toxicological screening standard and GC‑MS retention index marker.
Mechanistic properties: Acts as monoamine transporter reuptake inhibitor in vitro (DAT/NET).
Halogen effect: Bromo substituent increases lipophilicity and DAT affinity versus unsubstituted analogs.
Metabolic pathways: N‑demethylation, keto‑reduction, and bromophenyl hydroxylation.
Bioactivity study focus: SAR of para‑halogen substituted cathinones.

Computational Chemistry

Descriptor	Predicted Value (DFT B3LYP/6‑31G*)
Dipole Moment	3.21 D
HOMO–LUMO Gap	6.0 eV
Calculated log P	2.9 ± 0.2
pKa (amine)	9.7
Rotatable Bonds	3
TPSA	32 Å²
Docking energy (DAT)	≈ –10.1 kcal · mol⁻¹
Interpretation: Para‑Br extending π‑bond density enhances hydrophobic binding in transport weak sites.

Environmental Chemistry

Hydrolytic stability: High at neutral pH; slow oxidative decomposition.
Photolysis: Aromatic Br forms phenolic and debrominated products under UV.
Biodegradability: Moderate to low due to aryl halide bond stability.
Bioaccumulation potential: Moderate (log Kow ≈ 2.9).
Waste handling: Hazardous organic amine class; incinerate (> 1100 °C) or oxidize under licensed conditions.

Laboratory Equipment

Instrument	Application
GC–MS (EI)	M⁺ = 241 m/z; key fragments 58 (methylamino ion), 105 (benzoyl).
LC–MS/MS	[M+H]⁺ = 242 m/z; characteristic daughter ion → 84 m/z.
FTIR (ATR)	C=O ≈ 1695 cm⁻¹; C–Br ≈ 595 cm⁻¹; N–H ≈ 3300 cm⁻¹.
¹H NMR (400 MHz)	δ 7.3 (Ar H), 4.05 (CH α), 2.85 (CH₃–N), 1.25 (CH₃).
Storage Conditions	–20 °C, dry, amber vial, inert gas blanket.

Consumables

- HPLC‑grade methanol, acetonitrile, chloroform.
- Formic acid/acetic acid buffers (0.1 %).
- Amber autosampler vials and PTFE caps.
- Certified analytical balances and micro‑spatulas.
- Disposable nitrile gloves, respirator, chemical‑resistant coat.

Regulation & Safety

Category	Information
Controlled Status	Schedule I (US); Class B (UK; controlled cathinone); analogous controls elsewhere.
Permitted Use	Authorized for analytical and forensic calibration only.
GHS Signal Word	Danger
Hazard Statements	H301: Toxic if swallowed; H331: Toxic if inhaled; H370: Causes organ damage.
Precautions	Work in fume hood; use PPE; prevent dust formation; maintain controlled substance inventory.
Disposal	Dedicated hazardous organic waste stream → licensed incineration.

Chemical Informatics

Field	Entry
SMILES	`CC(C(=O)C1=CC=C(Br)C=C1)NC`
InChIKey	`GGVMYIXMXGKSAX‑UHFFFAOYSA‑N`
CAS No.	(Ref.) 78822‑30‑3 (base structure registered)
Molecular Weight	242.11 g · mol⁻¹
log P (pred.)	2.9
TPSA	32 Å²
Rotatable Bonds	3
Applications	MS reference libraries, QSAR/QSPR modeling, forensic toxicological datasets.

Legal & Ethical Notice

⚠️ Controlled‑Substance Disclaimer
4‑Bromomethcathinone (4‑BMC) is a regulated psychostimulant analogue listed under national and international drug control conventions.
Handling requires valid authorization, secure storage, and chain‑of‑custody tracking.
Information here is solely for scientific and regulatory reference — not for promotion or human use.