Description

1-Bromo-4-iodobenzene (CAS No. 589-87-7) is a high-purity halogenated aromatic compound with the molecular formula C₆H₄BrI. This versatile intermediate is widely used in organic synthesis, pharmaceutical research, and material science applications. The compound features both bromine and iodine substituents on the para positions of the benzene ring, offering distinct reactivity for cross-coupling reactions such as Suzuki, Stille, and Negishi couplings.

Our product is rigorously tested to ensure superior quality, with typical purity levels exceeding 98% (GC). It is supplied as white to pale yellow crystals with excellent stability under recommended storage conditions (2-8°C in a tightly sealed container, protected from light).

Key applications include:

• Building block for liquid crystals and OLED materials
• Pharmaceutical intermediate
• Ligand precursor in catalyst systems
• Monomer for conductive polymers

Technical specifications:

• Molecular Weight: 282.90 g/mol
• Melting Point: 89-92°C
• Boiling Point: 263-265°C
• Density: 2.237 g/cm³

Properties

• CAS Number: 589-87-7
• Complexity: 66.9
• IUPAC Name: 1-bromo-4-iodo-benzene
• InChI: InChI=1S/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4H
• InChI Key: UCCUXODGPMAHRL-UHFFFAOYSA-N
• Exact Mass: 281.85411
• Molecular Formula: C6H4BrI
• Molecular Weight: 282.90
• SMILES: C1=CC(=CC=C1Br)I
• Monoisotopic Mass: 281.85411
• Physical Description: Light brown crystalline powder;
• Vapor Pressure: 0.02 [mmHg]
• Synonyms: 1-Bromo-4-iodobenzene, Benzene, 1-bromo-4-iodo-, 4-bromo-1-iodobenzene, 4-iodobromobenzene, 4-bromophenyl iodide, 4-iodo-1-bromobenzene, R9LDG2XS7C, NSC 8033, NSC-8033, EINECS 209-662-7, AI3-09032, DTXSID5060433, pBromoiodobenzene, pIodobromobenzene, pBromophenyl iodide, Benzene, 1bromo4iodo, DTXCID6042496, inchi=1/c6h4bri/c7-5-1-3-6(8)4-2-5/h1-4, uccuxodgpmahrl-uhfffaoysa-n, 589-87-7, 4-BROMOIODOBENZENE, p-Bromoiodobenzene, p-Iodobromobenzene, p-Bromophenyl iodide, MFCD00001051, 1-bromo-4-iodo-benzene, 1-Bromo-4-iodobenzene-[13C6], MFCD30717990, NSC8033, p-bromo iodobenzene, 4-bromo iodobenzene, 4-bromo-iodobenzene, 4-iodo bromobenzene, 4-iodo-bromobenzene, para-bromoiodobenzene, 4-bromo-iodo-benzene, 1-bromo-4-iodobezene, 1-Iodo-4-Brombenzene, 1-iodo-4-bromobenzene, 1-bromo-4-iodo benzene, 1-iodo-4-bromo-benzene, 4-bromo-1-iodo-benzene, UNII-R9LDG2XS7C, 1-Bromo-4-iodobenzene-d4, SCHEMBL24146, 1-bromanyl-4-iodanyl-benzene, SCHEMBL2581181, 1-Bromo-4-iodobenzene, 98%, SCHEMBL14126148, AC-174, AKOS000185502, CS-W008977, FB38228, GS-3007, BP-13428, SY005124, SY099344, DB-027383, B0604, NS00034056, EN300-71276, A832097, Z299596184

Application

1-Bromo-4-iodobenzene serves as a valuable building block in organic synthesis, particularly in palladium-catalyzed cross-coupling reactions to create biaryl structures. Researchers utilize this compound in the development of liquid crystal materials for display technologies due to its rigid aromatic core and halogen substituents. In pharmaceutical research, it functions as a key intermediate for creating potential drug candidates through sequential functionalization of the aromatic ring.

Safety and Hazards

GHS Hazard Statements

• H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (94.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H413 (77.4%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P271, P273, 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 (98.1%)
• Eye Irrit. 2 (98.1%)
• STOT SE 3 (94.3%)
• Aquatic Chronic 4 (77.4%)

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