HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dipropetryn
Sancap · Cotofer · Cotofor · GS 16068 · gs-16068 · SANCAP(R) · ipropetryn · DIPROPETRYN
Identifiers & Physical Properties
| CAS No. | 4147-51-7 |
|---|---|
| Molecular formula | C11H21N5S |
| Average molar mass | 255.39 g/mol |
| Monoisotopic mass | 255.15176686 g/mol |
| SMILES | CCSc1nc(NC(C)C)nc(NC(C)C)n1 |
| InChIKey | NPWMZOGDXOFZIN-UHFFFAOYSA-N |
| PubChem CID | 20105 |
| ChEBI | CHEBI:82223 |
| EC No. | 223-973-5 |
| DTXSID | DTXSID9037533 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 88 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 6 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 194 |
| Pesticides | Pesticide (Dipropetryn) -> USDA PDB |
| LogP (partition coefficient) | 3.81 |
| Human Drugs | Pharmaceuticals |
| Melting point | 105℃ |
| Boiling point | 413.0±28.0 °C(Predicted) |
| Density | 1.1606 (rough estimate) |
| Refractive index | 1.5500 (estimate) |
| pKa (acidity coefficient) | 3.78±0.41(Predicted) |
| Solubility | 16mg/L(room temperature) |
| Merck | 13,3376 |
| BRN | 614796 |
| Henry's law constant | 6.0×102 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| Major applications | agricultureenvironmental |
| InChI | 1S/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16) |
| InChIKey | NPWMZOGDXOFZIN-UHFFFAOYSA-N |
| SMILES | CCSc1nc(NC(C)C)nc(NC(C)C)n1 |
| EWG's Food Scores | 1 |
| FDA UNII | HMU670U9DQ |
| EPA Substance Registry System | Dipropetryn (4147-51-7) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS09 |
| GHS hazard statements | H411 |
| Personal protective equipment (PPE) | Eyeshields, Gloves |
| Hazard symbols | N |
| Risk statements (R) | 51/53 |
| Safety statements (S) | 60 |
| UN transport number | UN3077 9/PG 3 |
| Water hazard class (WGK) | 2 |
| RTECS number | XY4100000 |
| Storage class | 11 - Combustible Solids |
| Toxicity | LC50 (96-hour) for rainbow trout 2.7 mg/L and bluegill sunsh 1.6 mg/L (Hartley and Kidd, 1987)acute oral LD50 for rats 3,900–5,000 mg/kg (Hartley and Kidd, 1987), 7,144 mg/kg (RTECS, 1985). |
Safety & Regulations
| GHS classification | H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Aquatic Chronic 2 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves |
| Water hazard class (WGK) | 2 |
| RTECS number | XY4100000 |
| UN transport number | UN3077 9/PG 3 |
| Toxicity | LC50 (96-hour) for rainbow trout 2.7 mg/L and bluegill sunsh 1.6 mg/L (Hartley and Kidd, 1987)acute oral LD50 for rats 3,900–5,000 mg/kg (Hartley and Kidd, 1987), 7,144 mg/kg (RTECS, 1985). |
| Risk statements (R) | 51/53 |
| GHS pictogram | GHS09 |
| Hazard symbols | N |
| Safety statements (S) | 60 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H411 |
Applications & Uses
Uses
Dipropetryn PESTANAL, analytical standard
Uses
Preemergence herbicide used to control weeds in cotton and melon crops.
Uses
Herbicide.