Description

1,2-Diiodobenzene (CAS No. 615-42-9) is a high-purity aromatic compound with the molecular formula C₆H₄I₂, widely used in organic synthesis and material science. This crystalline solid features two iodine atoms at the ortho positions of the benzene ring, making it a valuable intermediate for cross-coupling reactions, such as Suzuki and Heck couplings. Its high reactivity and stability under various conditions make it ideal for pharmaceutical research, agrochemical development, and advanced material design. Our product is rigorously tested to ensure ≥98% purity (GC), with trace metals and moisture levels minimized for sensitive applications. Available in sealed amber vials or bulk quantities, it is stored under inert conditions to preserve quality.

Properties

• CAS Number: 615-42-9
• Complexity: 62.9
• IUPAC Name: 1,2-diiodobenzene
• InChI: InChI=1S/C6H4I2/c7-5-3-1-2-4-6(5)8/h1-4H
• InChI Key: BBOLNFYSRZVALD-UHFFFAOYSA-N
• Exact Mass: 329.84025
• Molecular Formula: C6H4I2
• Molecular Weight: 329.90
• SMILES: C1=CC=C(C(=C1)I)I
• Monoisotopic Mass: 329.84025
• Physical Description: Liquid;
• Vapor Pressure: 0.00593 [mmHg]
• Synonyms: 1,2-DIIODOBENZENE, 615-42-9, Benzene, 1,2-diiodo-, Benzene, 1,2-diiodo, EINECS 210-425-5, NSC 29029, DTXSID0060648, oDiiodobenzene, Benzene, odiiodo, Benzene, 1,2diiodo, Benzene, odiiodo (8CI), DTXCID5043057, 210-425-5, bbolnfysrzvald-uhfffaoysa-n, inchi=1/c6h4i2/c7-5-3-1-2-4-6(5)8/h1-4, o-Diiodobenzene, Benzene, o-diiodo-, diiodobenzene, MFCD00001038, 1,2-Diiodobenzene(stabilizedwithCopperchip), NSC29029, Benzene,2-diiodo-, 1,2-diiodo-benzene, 1,2-Diiodobenzene, 98%, SCHEMBL28219, SCHEMBL232211, SCHEMBL232225, SCHEMBL3783056, BCP05858, NSC-29029, AKOS009156949, AC-9712, CS-W007538, AS-18656, SY029579, DB-005622, D0606, NS00034722, EN300-39021, A20584, 1,2-diiodo-benzen;Benzene, 1,2-diiodo-;Benzene, o-diiodo-;benzene,1,2-diiodo-

Application

1,2-Diiodobenzene is primarily used as a key reagent in palladium-catalyzed cross-coupling reactions to synthesize biaryl compounds. It serves as a precursor in the development of liquid crystals and organic semiconductors due to its electron-rich aromatic structure. Researchers also employ it in the synthesis of iodinated dyes and as a building block for complex heterocycles in medicinal chemistry.

Safety and Hazards

GHS Hazard Statements

• H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (81.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (16.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (87.8%): 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (98%)
• Eye Dam. 1 (81.6%)
• Eye Irrit. 2A (16.3%)
• STOT SE 3 (87.8%)

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