CAS 135579-87-2

Bromo[(4-cyanophenyl)methyl]zinc

Description:

Bromo[(4-cyanophenyl)methyl]zinc, with the CAS number 135579-87-2, is an organozinc compound characterized by the presence of a bromo group and a cyanophenyl moiety attached to a zinc atom. This compound typically exhibits a coordination number of four, where zinc is tetrahedrally coordinated by the bromo and the organic ligand. It is often used in organic synthesis, particularly in cross-coupling reactions, due to its ability to act as a nucleophile. The presence of the cyano group enhances the electrophilicity of the compound, making it a valuable intermediate in the synthesis of various organic molecules. Additionally, bromo[(4-cyanophenyl)methyl]zinc is sensitive to moisture and air, necessitating careful handling under inert atmospheres. Its reactivity and functional groups allow for diverse applications in medicinal chemistry and materials science, particularly in the development of pharmaceuticals and agrochemicals. As with many organometallic compounds, safety precautions should be observed due to potential toxicity and reactivity.

Formula: C₈H₆BrNZn

InChI: InChI=1S/C8H6N.BrH.Zn/c1-7-2-4-8(6-9)5-3-7;;/h2-5H,1H2;1H;/q;;+1/p-1

InChI key: InChIKey=OPFGYNVCSQCBCL-UHFFFAOYSA-M

SMILES: C([Zn]Br)C1=CC=C(C#N)C=C1

Synonyms:

• (4-Cyanobenzyl)zinc bromide
• 4-Cyanobenzylzinc Bromide Solution
• 4-Cyanobenzylzinc Bromide, 0.5M Solution In Tetrahydrofuran
• Benzonitrile, 4-methyl-, zinc complex
• Bromo[(4-cyanophenyl)methyl]zinc
• Bromozinc(1+) (4-Cyanophenyl)Methanide
• Zinc, bromo[(4-cyanophenyl)methyl]-