2-Methyl-2-Propanyl 5-Cyano-1,3-Dihydro-2H-Isoindole-2-Carboxylate
[CAS# 263888-56-8]

Identification

• Name: 2-Methyl-2-Propanyl 5-Cyano-1,3-Dihydro-2H-Isoindole-2-Carboxylate
• Synonyms: 2H-ISOINDOLE-2-CARBOXYLICACID, 5-CYANO-1,3-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER; tert-butyl 5-cyano-2,3-dihydro-1H-isoindole-2-carboxylate
• Molecular Formula: C₁₄H₁₆N₂O₂
• Molecular Weight: 244.29
• CAS Registry Number: 263888-56-8
• SMILES: CC(C)(C)OC(=O)N1Cc2ccc(cc2C1)C#N
• InChI: 1S/C14H16N2O2/c1-14(2,3)18-13(17)16-8-11-5-4-10(7-15)6-12(11)9-16/h4-6H,8-9H2,1-3H3
• InChIKey: IXXSRJYZPJRWPB-UHFFFAOYSA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Boiling point: 367.9°C at 760 mmHg (Cal.)
• Flash point: 176.3°C (Cal.)
• Refractive index: 1.569 (Cal.)