1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea
- Product Name1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea
- CAS34014-18-1
- MFC9H16N4OS
- MW228.31
- EINECS251-793-7
- MOL File34014-18-1.mol
Chemical Properties
| Melting point | 161-164°C |
| Density | 1.2080 (rough estimate) |
| refractive index | 1.6390 (estimate) |
| storage temp. | 0-6°C |
| pka | 13.36±0.46(Predicted) |
| form | Solid |
| color | White to Light yellow |
| Water Solubility | 2.3g/L(temperature not stated) |
| λmax | 255nm(lit.) |
| Merck | 14,9095 |
| BRN | 527479 |
| Henry's Law Constant | 6.9×104 mol/(m3Pa) at 25℃, Keshavarz et al. (2022) |
| Exposure limits | LC50 (96-hour) for bluegill sunsh 112 mg/L, rainbow trout 144 mg/L, goldsh and fathead minnow >160 mg/L (Hartley and Kidd, 1987); acute oral LD50 for rats 644 mg/kg (Ashton and Monaco, 1991). |
| Major Application | agriculture environmental |
| InChI | 1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14) |
| InChIKey | HBPDKDSFLXWOAE-UHFFFAOYSA-N |
| SMILES | CNC(=O)N(C)c1nnc(s1)C(C)(C)C |
| CAS DataBase Reference | 34014-18-1(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn;N,N,Xn |
| Risk Statements | 22-50/53 |
| Safety Statements | 37-60-61 |
| RIDADR | UN 3077 |
| WGK Germany | 3 |
| RTECS | YS4250000 |
| HazardClass | 9 |
| PackingGroup | III |
| HS Code | 29349990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 |
| Hazardous Substances Data | 34014-18-1(Hazardous Substances Data) |
| Toxicity | LD50 in mice, rats, rabbits (mg/kg): 579, 644, 286 orally (Todd) |