Description
2-Bromo-5-iodotoluene (CAS No. 202865-85-8) is a high-purity halogenated aromatic compound with the molecular formula C7H6BrI. This versatile intermediate is widely used in organic synthesis, pharmaceutical research, and material science due to its reactive bromo and iodo functional groups. Its crystalline structure and stability make it ideal for cross-coupling reactions, such as Suzuki-Miyaura and Sonogashira couplings, enabling the construction of complex molecular architectures. Available in ≥98% purity (GC), this product is rigorously tested for consistency and packaged under inert conditions to ensure optimal shelf life. Suitable for research, industrial applications, and fine chemical production.
Properties
- CAS Number: 202865-85-8
- Complexity: 94.9
- IUPAC Name: 1-bromo-4-iodo-2-methyl-benzene
- InChI: InChI=1S/C7H6BrI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
- InChI Key: QSQOGKONVJDRNH-UHFFFAOYSA-N
- Exact Mass: 295.86976
- Molecular Formula: C7H6BrI
- Molecular Weight: 296.93
- SMILES: CC1=C(C=CC(=C1)I)Br
- Monoisotopic Mass: 295.86976
- Synonyms: 2-Bromo-5-iodotoluene, 202865-85-8, DTXSID10370807, DTXCID80321841, 640-232-5, 1-bromo-4-iodo-2-methylbenzene, Benzene, 1-bromo-4-iodo-2-methyl-, MFCD00070749, 2-bromo-5-iodo toluene, SCHEMBL690777, SCHEMBL20262066, BCP21654, CK2341, AKOS015835279, CS-W013978, FB70579, AC-25921, AS-19107, SY016908, DB-023806, B3099, EN300-227556
2-Bromo-5-iodotoluene serves as a key building block in palladium-catalyzed cross-coupling reactions for pharmaceutical and agrochemical synthesis. It is particularly valuable in creating biaryl structures and heterocyclic compounds. Researchers also utilize it in ligand design and optoelectronic material development. Its dual halogen functionality allows selective functionalization, making it a preferred choice for multistep organic transformations.
Safety and Hazards
GHS Hazard Statements
- H315 (91.7%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H335 (75%): 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 (91.7%)
- Eye Irrit. 2A (100%)
- STOT SE 3 (75%)
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