Chemical Properties
| Melting point | 155°C |
| Boiling point | 514.4±50.0 °C(Predicted) |
| Density | 1.2984 (rough estimate) |
| refractive index | 1.5630 (estimate) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | Soluble in DMSO (up to 40 mg/ml). |
| form | White crystalline solid |
| pka | 2.99±0.10(Predicted) |
| color | Off-white |
| Stability | Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 6 months. |
| InChI | 1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) |
| InChIKey | SZRPDCCEHVWOJX-UHFFFAOYSA-N |
| SMILES | CC1=C(C)C=CC=C1NC2=NC(SCC(O)=O)=NC(Cl)=C2 |
Safety Information
| Hazard Codes | T |
| Risk Statements | 45-22-36/37/38 |
| Safety Statements | 53-26-36/37/39-45 |
| WGK Germany | 3 |
| RTECS | AG2915000 |
| HS Code | 2933.59.9500 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 4 Oral Carc. 1B Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Hazardous Substances Data | 50892-23-4(Hazardous Substances Data) |
