CAS 77721-45-0

1-Azido-4-(1-methylethyl)benzene

Description:

1-Azido-4-(1-methylethyl)benzene, with the CAS number 77721-45-0, is an organic compound characterized by the presence of an azide functional group (-N3) attached to a benzene ring that also features an isopropyl group at the para position. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is known for its potential applications in organic synthesis, particularly in the field of click chemistry, where the azide group can participate in reactions with alkynes to form triazoles. The azido group contributes to its reactivity, making it a useful intermediate in the synthesis of various chemical compounds. However, due to the presence of the azide group, it can also pose safety hazards, as azides are known to be sensitive and potentially explosive under certain conditions. Proper handling and storage protocols are essential when working with this compound to ensure safety in laboratory environments.

Formula: C₉H₁₁N₃

InChI: InChI=1S/C9H11N3/c1-7(2)8-3-5-9(6-4-8)11-12-10/h3-7H,1-2H3

InChI key: InChIKey=CZCQLOBFXPPLNP-UHFFFAOYSA-N

SMILES: C(C)(C)C1=CC=C(N=[N+]=[N-])C=C1

Synonyms:

• 1-Azido-4-isopropylbenzene
• Benzene, 1-azido-4-(1-methylethyl)-
• 1-Azido-4-(propan-2-yl)benzene
• 1-Azido-4-(1-methylethyl)benzene
• (4-Isopropylphenyl)azide