CAS 39546-47-9

1-chloro-4-(isocyanomethyl)benzene

Description:

1-Chloro-4-(isocyanomethyl)benzene, with the CAS number 39546-47-9, is an organic compound characterized by the presence of a chlorine atom and an isocyanomethyl group attached to a benzene ring. The chlorine atom is located at the para position relative to the isocyanomethyl group, which contributes to the compound's reactivity and potential applications in organic synthesis. The isocyanomethyl group (-N=C=O) is notable for its ability to participate in various chemical reactions, including nucleophilic additions and cycloadditions, making this compound of interest in the field of medicinal chemistry and materials science. The presence of both the chlorine and isocyanomethyl functionalities can influence the compound's physical properties, such as solubility and boiling point, as well as its reactivity with other chemical species. Safety considerations should be taken into account when handling this compound, as both chlorine and isocyanate derivatives can be hazardous. Overall, 1-chloro-4-(isocyanomethyl)benzene serves as a versatile building block in synthetic organic chemistry.

Formula: C₈H₆ClN

InChI: InChI=1/C8H6ClN/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6H2

SMILES: [C-]#[N+]Cc1ccc(cc1)Cl

Synonyms:

• 4-Chlorobenzyl isocyanide
• Benzene, 1-Chloro-4-(Isocyanomethyl)-

4-Chlorobenzylisocyanide

CAS: 39546-47-9

4-Chlorobenzylisocyanide

Purity: 95%

Color and Shape: Solid

Molecular weight: 151.59g/mol

Ref: 54-OR903740

1-Chloro-4-(isocyanomethyl)benzene

CAS: 39546-47-9

1-Chloro-4-(isocyanomethyl)benzene is a heterocyclic compound that belongs to the morpholine family. It is activated by electron withdrawing groups such as nitro, chloro, and cyano groups. The functionalities of this molecule are amines, nitro, and chloro. 1-Chloro-4-(isocyanomethyl)benzene has been shown to be an inhibitor of pyrrole synthesis in biochemical studies. In addition, it has been shown to be a competitive inhibitor of xanthate oxidation in cyclic biochemical reactions.

Formula: C₈H₆ClN

Purity: Min. 95%

Molecular weight: 151.59 g/mol

Ref: 3D-PBA54647