Description

4-Bromo-2-ethyl-1-iodobenzene (CAS No. 175278-30-5) is a high-purity halogenated aromatic compound with the molecular formula C₈H₈BrI. This specialized chemical is a valuable intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki, Stille, and Negishi couplings. Its unique structure, featuring both bromo and iodo substituents on an ethyl-substituted benzene ring, allows for selective functionalization, making it a versatile building block for pharmaceuticals, agrochemicals, and advanced materials. Supplied as a crystalline solid with ≥95% purity (GC), it is rigorously tested for consistency and stability. Proper storage under inert conditions is recommended to maintain reactivity. Ideal for researchers in medicinal chemistry and material science seeking precise control in synthetic pathways.

Properties

• CAS Number: 175278-30-5
• Complexity: 105
• IUPAC Name: 4-bromo-2-ethyl-1-iodo-benzene
• InChI: InChI=1S/C8H8BrI/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2H2,1H3
• InChI Key: JWKQXPHYKRQLEJ-UHFFFAOYSA-N
• Exact Mass: 309.88541
• Molecular Formula: C8H8BrI
• Molecular Weight: 310.96
• SMILES: CCC1=C(C=CC(=C1)Br)I
• Monoisotopic Mass: 309.88541
• Synonyms: 4-bromo-2-ethyl-1-iodobenzene, 175278-30-5, 4-Bromo-2-ethyliodobenzene, DTXSID20375742, DTXCID80326770, 681-394-7, Benzene, 4-bromo-2-ethyl-1-iodo-, MFCD00221458, 5-Bromo-2-iodo-1-ethylbenzene, 4-bromo-2-ethyl-1-iodo-benzene, 4-bromo-2-ethyl-iodobenzene, SCHEMBL515201, 1-iodo-2-ethyl-4-bromobenzene, SCHEMBL29133633, JWKQXPHYKRQLEJ-UHFFFAOYSA-N, AHA27830, AKOS015890181, FS-4168, SY021073, DB-008377, CS-0134947, EN300-706184, F20978, 4-Bromo-2-ethyl-iodobenzene;4-bromo-2-ethyliodobenzene

Application

4-Bromo-2-ethyl-1-iodobenzene is widely used as a key intermediate in palladium-catalyzed cross-coupling reactions to construct complex biaryl structures. It serves as a precursor in the synthesis of liquid crystals and OLED materials due to its halogenated aromatic core. Researchers also employ it in medicinal chemistry for the modular assembly of drug candidates targeting kinase inhibition.

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 (100%): 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 (100%)

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