879642-95-2
| Name | CHEMBRDG-BB 5976483 |
| CAS | 879642-95-2 |
| Molecular Formula | C16H13ClO3 |
| MDL Number | MFCD05863693 |
| Molecular Weight | 288.73 |
| MOL File | 879642-95-2.mol |
Chemical Properties
| Boiling point | 474.091±30.00 °C(Press: 760.00 Torr)(predicted) |
| density | 1.302±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| form | solid |
| pka | 4.557±0.10(predicted) |
| InChI | 1S/C16H13ClO3/c17-15-4-2-1-3-13(15)11-20-14-8-5-12(6-9-14)7-10-16(18)19/h1-10H,11H2,(H,18,19)/b10-7+ |
| InChIKey | GAPYHVXKEHLZQP-JXMROGBWSA-N |
| SMILES | Clc1c(cccc1)COc2ccc(cc2)\C=C\C(=O)O |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |