1713-07-1
| Name | DIATRIZOIC ACID RELATED COMPOUND A (50 MG) (5-ACETAMIDO-3-AMINO-2,4,6-TRIIODOBENZOIC ACID) |
| CAS | 1713-07-1 |
| EINECS(EC#) | 216-987-8 |
| Molecular Formula | C9H7I3N2O3 |
| MDL Number | MFCD01660132 |
| Molecular Weight | 571.88 |
| MOL File | 1713-07-1.mol |
Chemical Properties
| Melting point | 263-266 °C |
| Boiling point | 231°C (rough estimate) |
| density | 2.5357 (estimate) |
| storage temp. | 2-30°C |
| pka | 1.29±0.10(Predicted) |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C9H7I3N2O3/c1-2(15)14-8-5(11)3(9(16)17)4(10)7(13)6(8)12/h13H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | XCNHOBHCZBIGJP-UHFFFAOYSA-N |
| SMILES | Ic1c(c(c(c(c1N)I)C(=O)O)I)NC(=O)C |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| WGK Germany | WGK 3 |
| HS Code | 2924296000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity |