aristolactam I
- Product Namearistolactam I
- CAS13395-02-3
- CBNumberCB31338068
- MFC17H11NO4
- MW293.27
- MDL NumberMFCD00797313
- MOL File13395-02-3.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 319 °C |
| Boiling point | 463.9±34.0 °C(Predicted) |
| Density | 1.49 |
| storage temp. | Refrigerator |
| solubility | Acetone (Slightly), DMSO (Slightly, Heated), Methanol (Slightly) |
| pka | 12.36±0.20(Predicted) |
| form | Solid |
| color | Light Yellow to Dark Yellow |
| Water Solubility | sparingly soluble in water |
| InChI | InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19) |
| InChIKey | MXOKGWUJNGEKBH-UHFFFAOYSA-N |
| SMILES | N1C2=C3C(C4=C(C=C3C1=O)OCO4)=C1C=CC=C(OC)C1=C2 |
| EWG's Food Scores | 1 |
| FDA UNII | 3G8CFM4T9A |
Safety
| Symbol(GHS) |
|
| Signal word | Danger |
| Hazard statements | H301+H311+H331 |
| Precautionary statements | P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405-P501 |
| RIDADR | 2811 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
