CAS 730964-67-7

1-Chloro-2-(2-isocyanoethyl)benzene

Description:

1-Chloro-2-(2-isocyanoethyl)benzene, identified by its CAS number 730964-67-7, is an organic compound characterized by the presence of a chloro group and an isocyanoethyl substituent on a benzene ring. This compound features a chlorobenzene structure, where the chlorine atom is attached to the second carbon of the aromatic ring, while the isocyanoethyl group is linked to the second position as well. The isocyano group (-N≡C) is known for its reactivity, particularly in nucleophilic addition reactions, making this compound potentially useful in various synthetic applications. The presence of both the chloro and isocyano functional groups suggests that it may participate in a range of chemical reactions, including substitution and coupling reactions. Additionally, the compound's physical properties, such as solubility and boiling point, would be influenced by the aromatic nature of the benzene ring and the polar characteristics of the isocyano group. Overall, 1-Chloro-2-(2-isocyanoethyl)benzene is a versatile compound with potential applications in organic synthesis and materials science.

Formula: C₉H₈ClN

InChI: InChI=1S/C9H8ClN/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2

InChI key: InChIKey=FLVWLQVWNITMNM-UHFFFAOYSA-N

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

Synonyms:

• Benzene, 1-chloro-2-(2-isocyanoethyl)-
• 2-(2-Chlorophenyl)ethylisocyanide
• 1-Chloro-2-(2-isocyanoethyl)benzene