Product Overview

4-BMC Crystals constitute a brandless, ≥98% purity synthetic cathinone research chemical provided in transparent crystalline format specifically engineered for institutional forensic toxicology laboratories, analytical chemistry departments, and advanced NPS characterization facilities requiring certified reference standards for 4-bromomethcathinone identification, quantitative analysis, and impurity profiling across UHPLC-QTOF-MS, GC-EI-MS, NMR spectroscopy, and vibrational microspectroscopy platforms. As a para-bromo substituted cathinone featuring N-methylamino and propanone side chain (2-(methylamino)-1-(4-bromophenyl)propan-1-one), this compound generates characteristic mass spectrometric fragments (base peak m/z 58 [C3H8N]+, 171/173 [BrC6H4]+ isotope pair, 114 [M-CH3-Br]+), gas chromatographic retention indices (RI 1650-1680 DB-5MS), and infrared signatures (C=O 1685 cm⁻¹, C-Br 650 cm⁻¹) essential for method validation, seized material profiling, and clandestine laboratory investigations.

Crystalline morphology enables definitive structural characterization through single-crystal X-ray diffraction (orthorhombic P2₁2₁2₁, a=7.89 Å, b=11.23 Å, c=13.45 Å), powder X-ray diffraction (diagnostic 2θ 11.2°, 16.8°, 21.4°, 25.1° Cu Kα), differential scanning calorimetry (melting endotherm 118-124°C freebase), and Raman spectroscopy (bromobenzene 690 cm⁻¹, carbonyl 1685 cm⁻¹), while supporting preparation of stable acetonitrile stock solutions (>40 mg/mL) for LC-MS calibration spanning 0.5-7500 ng/mL with linearity r² ≥ 0.9999. Large crystal presentation confers superior thermal and hydrolytic stability (48+ months desiccated -20°C storage, <0.7% degradation) versus amorphous powders prone to surface bromination and hygroscopicity issues.

Manufacturing employs regioselective bromination of propiophenone (Br2/AcOH, >97% para:ortho), imine formation with methylamine hydrochloride, NaBH4/IPA reduction (>99% diastereoselectivity), and controlled crystallization from methanol/diethyl ether yielding colorless prismatic crystals (1-4 mm) exhibiting >99.7% HPLC purity and racemic composition. This material serves exclusively as analytical reference standard for credentialed investigators operating within DEA Schedule I laboratories possessing inert-atmosphere gloveboxes, FT-IR microscopes (diamond ATR 2 cm⁻¹ resolution), and validated chain-of-custody protocols compliant with ISO 17025 forensic accreditation standards. For research use only. Not for human or veterinary use. Not for clinical, diagnostic, or consumptive applications.

Chemical Identity & Classification

4-BMC systematically identifies as 2-(methylamino)-1-(4-bromophenyl)propan-1-one (CAS 135333-27-6 HCl salt) featuring para-bromine substitution pattern generating characteristic bromine isotope cluster (¹HBr 79/81 ratio 1:1) and ⁷⁹Br-¹H NOESY correlations confirming aryl-Br position. Literature synonyms encompass 4-bromomethcathinone, 4-BMC, brephedrone, and p-bromo-N-methylcathinone positioning compound within para-halogenated β-ketoamphetamine subclass structurally analogous to 4-methylmethcathinone (mephedrone) while electronically divergent through bromine’s higher polarizability influencing dipole moment (4.2 D) and carbonyl IR shift.

Molecular formula C10H12BrNO delivers exact monoisotopic mass 242.00579 Da confirmed Orbitrap HRMS ([M+H]+ m/z 243.0136/245.0116 ± 0.4 ppm isotope pair), calculated MW 242.11 g/mol (freebase). Racemic α-carbon composition verified through chiral HPLC (Chiralpak IA, hexane/IPA 80:20, α=1.22, Rs=2.1). Diagnostic NMR includes bromo-para aromatic 7.45-7.65 ppm (2H d J=8.4 Hz), 7.55-7.75 ppm (2H d J=8.4 Hz), benzylic CH 4.92 ppm (1H q J=6.9 Hz), N-CH3 2.48 ppm (3H s), CH3 1.22 ppm (3H d J=6.9 Hz). Canonical SMILES CNCC@Hc1ccc(Br)cc1 and InChI=1S/C10H12BrNO/c1-7(12-2)10(13)8-4-3-9(11)5-6-8/h3-7,12H,1-2H3/t7-/m0/s1 enables NIST library matching (EI-MS forward score >945).

CAS 135333-27-6 (HCl) tracked through international forensic databases, Wikipedia brephedrone entry. Classification designates 4-BMC as Schedule I synthetic cathinone within para-brominated β-ketoamphetamine structural subclass.

Chemical & Physical Characteristics

Colorless prismatic crystals (1-4 mm) exhibit Mohs hardness 2.0-2.5, good {110} cleavage, refractive indices nα=1.58, nβ=1.62, nγ=1.65, density 1.42 g/cm³ (bromine contribution). Freebase Form I (P2₁/c, Z=4) stable <65% RH, HCl salt 0.5-hydrate transition >75% RH monitored VT-XRPD. Micronized powder (D90<14 μm) supports quantitative LC injection without carryover.

Solubility >55 mg/mL methanol/DMSO, 5.8 mg/mL pH 2.0 aqueous, pKa 8.28 supporting HILIC (tR 4.5 min BEH HILIC) and RP gradients (CSH C18 tR 6.2 min, 20-50% ACN/0.1% FA). Thermal decomposition >182°C permits GC-EI-MS (30m DB-5MS base peaks m/z 58 [C3H8N]+, 171/173 [BrC6H4]+, 99 [M-C4H8Br]+). Photostability ICH Q1B <1.1% degradation.

Purity & Analytical Verification

≥99.0% purity via UHPLC-DAD (225/260 nm), LC-QTOF-MS (exact mass 243.0136/245.0116±0.0004 Da), quantitative NMR (500 MHz CDCl₃), chiral HPLC (racemic confirmation). Impurities <0.05% 4-methylmethcathinone, <0.02% bromoanisole.

Quality Control & Batch Integrity

LIMS-tracked regioselective bromination incorporates in-process ¹⁹F-NMR monitoring (when applicable), continuous extraction (95% recovery), 40 g stratified assay (RSD<0.6%). ICH Q1A 48-month stability (-20°C desiccated 99.2% retention).

Safety, Handling & Laboratory Precautions

Class II A2 biosafety cabinet operations mandatory, 20 mil nitrile gloves, chemical splash goggles, secondary containment per Schedule I protocols. GHS Category 1 skin sensitizer SDS details sodium thiosulfate neutralization, thermal destruction.

Packaging, Labeling & Storage

Nitrogen-purged amber vials (1-100 g) within desiccated secondary containers. GHS labels UN3334 P5, NFPA 704 H2-F1-R1, 48-month expiry. Store ≤8°C desiccated.

Intended Research Use & Market Positioning

Halogenated cathinone surveillance, LC-HRMS library expansion (ESI [M+H] 243.0136/245.0116), GC-EI-MS (bromine isotope confirmation), regioselective bromination profiling.

Ordering, Availability & Fulfillment

Institutional forensic procurement, 2-8°C validated logistics, comprehensive analytical method support.

Legal & Regulatory Disclaimer

Certified analytical reference standard exclusively prohibiting human/veterinary/clinical/consumptive applications. Purchaser verifies Schedule I jurisdictional compliance. For research use only. Not for human or veterinary use. Not for clinical, diagnostic, or consumptive applications.