Description
4,6-Dibromoisophthalonitrile (CAS No. 244261-21-0) is a high-purity aromatic compound with the molecular formula C8H2Br2N2. This dibrominated benzene derivative features two nitrile groups at the 1,3-positions, making it a valuable intermediate in organic synthesis and materials science. Its IUPAC name is 4,6-dibromobenzene-1,3-dicarbonitrile, and it is characterized by its white to off-white crystalline powder form with a molecular weight of 285.93 g/mol. This compound is particularly useful in the preparation of advanced polymers, agrochemicals, and pharmaceutical intermediates due to its reactive bromine and nitrile functionalities. It is supplied with ≥95% purity (HPLC) and is packaged under inert conditions to ensure stability. Store in a cool, dry place away from light and moisture.
Properties
- CAS Number: 244261-21-0
- Complexity: 233
- IUPAC Name: 4,6-dibromobenzene-1,3-dicarbonitrile
- InChI: InChI=1S/C8H2Br2N2/c9-7-2-8(10)6(4-12)1-5(7)3-11/h1-2H
- InChI Key: ZNBRGBYGUHMQOV-UHFFFAOYSA-N
- Exact Mass: 285.85642
- Molecular Formula: C8H2Br2N2
- Molecular Weight: 285.92
- SMILES: C1=C(C(=CC(=C1C#N)Br)Br)C#N
- Topological: 47.6
- Monoisotopic Mass: 283.85847
- Synonyms: 4,6-Dibromoisophthalonitrile, 244261-21-0, 1,3-Benzenedicarbonitrile, 4,6-dibromo-, 4,6-dibromobenzene-1,3-dicarbonitrile, 4,6-Dibromo-isophthalonitrile, YSCK0039, SCHEMBL23830067, MFCD34165558, AKOS040769006, BS-52625, CS-0110873, E74827
Application
4,6-Dibromoisophthalonitrile serves as a key precursor in the synthesis of flame-retardant polymers and high-performance materials. It is widely used in cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, to construct complex aromatic frameworks. Researchers also employ it as a building block for luminescent materials and metal-organic frameworks (MOFs). Its dual functionality makes it valuable in agrochemical and pharmaceutical development for creating bioactive compounds.
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