HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Prodiamine
blockade · Marathon · USB-3153 · endurance · BARRICADE · KUSABLOCK · CN-11-2936 · PRODIAMINE
Identifikatoren & physikalische Daten
| CAS No. | 29091-21-2 |
|---|---|
| Summenformel | C13H17F3N4O4 |
| Durchschnittliche Molmasse | 350,29 g/mol |
| Monoisotopische Masse | 350,12018952 g/mol |
| SMILES | CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-] |
| InChIKey | RSVPPPHXAASNOL-UHFFFAOYSA-N |
| PubChem CID | 34469 |
| ChEMBL | CHEMBL1223140 |
| ChEBI | CHEBI:82032 |
| EC No. | 249-421-3 |
| DTXSID | DTXSID1034210 |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 121 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 446 |
| Kovats Retention Index | 19521941 |
| Collision Cross Section | 171.1 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID1034210] |
| Schmelzpunkt | 124-125° |
| Siedepunkt | 433.0±45.0 °C(Predicted) |
| Dichte | 1.4700 |
| Flammpunkt | -18 °C |
| Lagerbedingungen | 0-6°C |
| pKa (Säurekonstante) | -1.40±0.50(Predicted) |
| BRN | 2494213 |
| Henry-Konstante | 1.3×100 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| CAS Datenbank | 29091-21-2(CAS DataBase Reference) |
| NIST chemische Informationen | 1,3-Benzenediamine, 2,4-dinitro-n3,n3-dipropyl-6-(trifluoromethyl)-(29091-21-2) |
| EPA chemische Informationen | Prodiamine (29091-21-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH332 (58.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P261, P271, P273, P304+P340, P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 67 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Prodiamine is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141) |
| Weitere Sicherheitsinformationen | IMAP assessments - 1,3-Benzenediamine, 2,4-dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-: Human health tier I assessmentIMAP assessments - 1,3-Benzenediamine, 2,4-dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (58.2%)Aquatic Acute 1 (100%)Aquatic Chronic 1 (100%) |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| RAIS Toxicity Values | 0.14000000000000001OPP |
| EPA Human Health Benchmarks for Pesticides | Prodiamine0.14830General PopulationHuman Health Benchmarks for Pesticides - 2021 Update |
| Wassergefährdungsklasse (WGK) | 2 |
Anwendungen & Verwendung
Verwenden
Herbicide.