CAS 602261-84-7

1-Bromo-3-(isocyanomethyl)benzene

Description:

1-Bromo-3-(isocyanomethyl)benzene, with the CAS number 602261-84-7, is an organic compound characterized by the presence of a bromine atom and an isocyanomethyl group attached to a benzene ring. This compound features a bromine substituent at the meta position relative to the isocyanomethyl group, which is a functional group containing a carbon atom triple-bonded to a nitrogen atom and linked to a benzyl group. The presence of the bromine atom imparts certain reactivity, making it useful in various chemical reactions, including nucleophilic substitutions and coupling reactions. The isocyanomethyl group contributes to the compound's potential applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Additionally, the compound's structure suggests it may exhibit specific physical properties such as solubility in organic solvents and potential reactivity under certain conditions. Safety precautions should be observed when handling this compound, as both brominated compounds and isocyanides can pose health risks.

Formula: C₈H₆BrN

InChI: InChI=1S/C8H6BrN/c1-10-6-7-3-2-4-8(9)5-7/h2-5H,6H2

InChI key: InChIKey=ASSSIZVWBFJCHM-UHFFFAOYSA-N

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

Synonyms:

• Benzene, 1-bromo-3-(isocyanomethyl)-
• 1-Bromo-3-(isocyanomethyl)benzene

1-Bromo-3-(isocyanomethyl)benzene

CAS: 602261-84-7

Versatile small molecule scaffold

Formula: C₈H₆BrN

Purity: Min. 95%

Molecular weight: 196.04 g/mol

Ref: 3D-CZA26184