77960-29-3
| Name | 2-BENZYL-3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXYLIC ACID |
| CAS | 77960-29-3 |
| Molecular Formula | C16H13NO3 |
| MDL Number | MFCD02766482 |
| Molecular Weight | 267.28 |
| MOL File | 77960-29-3.mol |
Chemical Properties
| Melting point | 177-178.5 °C(Solv: isopropanol (67-63-0); N,N-dimethylformamide (68-12-2)) |
| Boiling point | 530.3±50.0 °C(Predicted) |
| density | 1.357±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 3.45±0.20(Predicted) |
| InChI | 1S/C16H13NO3/c18-15-14-12(7-4-8-13(14)16(19)20)10-17(15)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20) |
| InChIKey | FFIYKQCBUSMRHR-UHFFFAOYSA-N |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319 |
| Precautionary statements | P264-P280-P280-P332+P313-P337+P313-P362+P364 |
| Hazard Codes | Xi |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 |