CAS 72934-38-4

1-Chloro-4-(1-isocyanatocyclopropyl)benzene

Description:

1-Chloro-4-(1-isocyanatocyclopropyl)benzene, with the CAS number 72934-38-4, is an organic compound characterized by the presence of a chloro group and an isocyanate functional group attached to a benzene ring. The structure features a cyclopropyl group that is linked to the isocyanate, contributing to its unique reactivity and properties. This compound is typically a colorless to pale yellow liquid or solid, depending on its specific form and purity. It is known for its potential applications in organic synthesis, particularly in the production of various pharmaceuticals and agrochemicals. The presence of the isocyanate group makes it reactive, particularly towards nucleophiles, which can lead to the formation of ureas or other derivatives. Safety considerations are important when handling this compound, as isocyanates are known to be toxic and can cause respiratory irritation. Proper storage and handling procedures should be followed to mitigate risks associated with exposure.

Formula: C₁₀H₈ClNO

InChI: InChI=1S/C10H8ClNO/c11-9-3-1-8(2-4-9)10(5-6-10)12-7-13/h1-4H,5-6H2

InChI key: InChIKey=MICJRBRRXHOBFQ-UHFFFAOYSA-N

SMILES: N(=C=O)C1(CC1)C2=CC=C(Cl)C=C2

Synonyms:

• Benzene, 1-chloro-4-(1-isocyanatocyclopropyl)-
• 1-Chloro-4-(1-isocyanatocyclopropyl)benzene

1-Chloro-4-(1-isocyanatocyclopropyl)benzene

CAS: 72934-38-4

Versatile small molecule scaffold

Formula: C₁₀H₈ClNO

Purity: Min. 95%

Molecular weight: 193.63 g/mol

Ref: 3D-XCA93438