(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetonitrile

CAS: 3842-20-4

Ref. 3D-FD126625

Product Information

• Name: (1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetonitrile
• Synonyms: 2H-isoindole-2-acetonitrile, 1,3-dihydro-1,3-dioxo-
• Brand: Biosynth
• Description: Acetonitrile is a colorless liquid that is miscible with water and most organic solvents. It is mainly used as a solvent for chemical reactions, including the synthesis of pharmaceuticals. Acetonitrile has been shown to be mutagenic in vitro and in vivo. Acetonitrile was found to induce micronuclei formation, which may be due to its ability to form reactive oxygen species or cause DNA damage by forming adducts with DNA bases. Acetonitrile also induced chromosomal aberrations and micronucleated polychromatic erythrocytes in mice, as well as increased reticulocytes (immature red blood cells) in humans. The dihedral angle between the nitrate group and the benzyl group has been found to be 163°, while the average frequency of acetonitrile is 164 Hz.

Chemical properties

• Molecular weight: 186.17 g/mol
• Formula: C₁₀H₆N₂O₂
• Purity: Min. 95%
• Color/Form: Powder
• InChI: InChI=1S/H3N/h1H3
• InChI key: InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N
• SMILES: N#CCN1C(=O)c2ccccc2C1=O