Description

2-Bromo-4-chloro-1-iodobenzene (CAS No. 31928-44-6) is a high-purity halogenated benzene derivative with the molecular formula C₆H₃BrClI. This compound is an essential intermediate in organic synthesis, particularly in the preparation of complex aromatic compounds, pharmaceuticals, and agrochemicals. Its unique combination of bromo, chloro, and iodo substituents allows for selective functionalization via cross-coupling reactions such as Suzuki, Stille, or Negishi couplings. Our product is rigorously tested to ensure ≥98% purity (GC), with trace metal analysis available upon request. Supplied in amber glass vials under inert atmosphere to prevent degradation, it is ideal for research and industrial applications requiring precise halogenated building blocks.

Key Specifications:
– CAS: 31928-44-6
– Molecular Weight: 317.35 g/mol
– Appearance: White to pale yellow crystalline solid
– Melting Point: 45-48°C
– Storage: 2-8°C under nitrogen
– Hazard Codes: Xi (Irritant)

Properties

• CAS Number: 31928-44-6
• Complexity: 99.1
• IUPAC Name: 2-bromo-4-chloro-1-iodo-benzene
• InChI: InChI=1S/C6H3BrClI/c7-5-3-4(8)1-2-6(5)9/h1-3H
• InChI Key: CXHXFDQEFKFYQJ-UHFFFAOYSA-N
• Exact Mass: 315.81514
• Molecular Formula: C6H3BrClI
• Molecular Weight: 317.35
• SMILES: C1=CC(=C(C=C1Cl)Br)I
• Monoisotopic Mass: 315.81514
• Synonyms: 2-BROMO-4-CHLORO-1-IODOBENZENE, 31928-44-6, DTXSID50548169, DTXCID50498953, 608-682-7, 2-Bromo-4-chloroiodobenzene, MFCD00672944, BENZENE, 2-BROMO-4-CHLORO-1-IODO-, SCHEMBL806845, 2-Bromo-1-iodo-4-chlorobenzene, AKOS015835271, CS-W007924, DS-1120, SY021849, DB-014051, B4243, EN300-100361

Application

2-Bromo-4-chloro-1-iodobenzene serves as a versatile electrophilic scaffold in palladium-catalyzed cross-coupling reactions for synthesizing biaryl compounds in medicinal chemistry. It is particularly valuable in constructing multi-halogenated aromatic cores for drug discovery, allowing sequential functionalization at distinct positions. The compound also finds use in materials science as a precursor for liquid crystals and OLED intermediates, where halogen diversity enables fine-tuning of electronic properties.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (81.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (81.8%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.