α-methylbenzyl isocyanate

Ref. 3D-FM45748

Product Information

• Name: α-methylbenzyl isocyanate
• Brand: Biosynth
• Description: Alpha-methylbenzyl isocyanate is an organic compound that belongs to the class of chiral compounds. It has a variety of chemical structures, including cyanate and fluorimetric. This compound was first synthesized in 1887 by the reaction of piperazine with ethylene and carbodiimides, which yielded a racemic mixture of alpha-methylbenzyl isocyanate. Alpha-methylbenzyl isocyanate has antibacterial activity against Gram-positive bacteria such as Staphylococcus aureus and Streptococcus pneumoniae. It also has antibiotic activity against Gram-negative bacteria such as Pseudomonas aeruginosa and Acinetobacter baumannii. Alpha-methylbenzyl isocyanate can be used in analytical methods for determining the concentration of inorganic acid or alkali metal ions in a solution by measuring the change in optical rotation or fluorescence intensity.

Chemical properties

• Molecular weight: 147.17 g/mol
• Formula: C₉H₉NO
• Purity: Min. 95%
• InChI: InChI=1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3
• InChI key: InChIKey=JJSCUXAFAJEQGB-UHFFFAOYSA-N
• SMILES: CC(N=C=O)c1ccccc1