5915-41-3
| Name | Terbutylazine |
| CAS | 5915-41-3 |
| EINECS(EC#) | 227-637-9 |
| Molecular Formula | C9H16ClN5 |
| MDL Number | MFCD00055513 |
| Molecular Weight | 229.71 |
| MOL File | 5915-41-3.mol |
Chemical Properties
| Melting point | 178°C |
| Boiling point | 368.7°C (rough estimate) |
| density | 1.1880 |
| refractive index | 1.6110 (estimate) |
| Fp | 11 °C |
| storage temp. | 2-8°C |
| solubility | DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 1 mg/ml |
| form | neat |
| pka | 2.69±0.10(Predicted) |
| color | White to off-white |
| Water Solubility | 5mg/L(20 ºC) |
| BRN | 3951137 |
| Henry's Law Constant | 4.3×102 mol/(m3Pa) at 25℃, HSDB (2015) |
| Major Application | agriculture environmental |
| InChI | 1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15) |
| InChIKey | FZXISNSWEXTPMF-UHFFFAOYSA-N |
| SMILES | CCNc1nc(Cl)nc(NC(C)(C)C)n1 |
| LogP | 3.210 |
| NIST Chemistry Reference | Terbuthylazine(5915-41-3) |
Safety Data
| Hazard Codes | F,T,Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN1230 3/PG 2 |
| WGK Germany | 2 |
| RTECS | XY4550000 |
| TSCA | TSCA listed |
| HS Code | 2933698090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 STOT RE 2 |
| Hazardous Substances Data | 5915-41-3(Hazardous Substances Data) |