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2-Chlor-N-[[[4-(trifluormethoxy)phenyl]amino]carbonyl]benzamid
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![Molekülstruktur von 2-Chlor-N-[[[4-(trifluormethoxy)phenyl]amino]carbonyl]benzamid](/img/chemical/47445.png)
Identifikatoren & physikalische Daten
| CAS No. | 64628-44-0 |
|---|---|
| Summenformel | C15H10ClF3N2O3 |
| Durchschnittliche Molmasse | 358,7 g/mol |
| Monoisotopische Masse | 358,0332044 g/mol |
| SMILES | O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1 |
| InChIKey | XAIPTRIXGHTTNT-UHFFFAOYSA-N |
| PubChem CID | 47445 |
| ChEMBL | CHEMBL1394379 |
| ChEBI | CHEBI:39388 |
| EC No. | 264-980-3 |
| DTXSID | DTXSID5034355 |
| Lokaler Name | 2-Chlor-N-[[[4-(trifluormethoxy)phenyl]amino]carbonyl]benzamid |
Chemische & physikalische Eigenschaften
| XLogP | 5,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 454 |
| Collision Cross Section | 179.1 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5034355]186.6 Ų [M+Na]+ [CCS Type: DTIonization: ESI+169.88 Ų [M+H]+ [CCS Type: TW] |
| Schmelzpunkt | 198℃ |
| Dichte | 1.475±0.06 g/cm3(Predicted) |
| Dampfdruck | 0Pa at 20℃ |
| Lagerbedingungen | 0-6°C |
| Löslichkeit | Soluble in DMF40μg/L at 20℃ |
| pKa (Säurekonstante) | 9.79±0.46(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to off-white |
| BRN | 2776684 |
| Henry-Konstante | 1.1×103 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23) |
| InChIKey | XAIPTRIXGHTTNT-UHFFFAOYSA-N |
| SMILES | FC(F)(F)Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1 |
| LogP (Verteilungskoeffizient) | 4.68 at 25℃ |
| CAS Datenbank | 64628-44-0(CAS DataBase Reference) |
| EPA chemische Informationen | Triflumuron (64628-44-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH330 (56.5%): Fatal if inhaled [Danger Acute toxicity, inhalation]H400 (43.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (43.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P260, P271, P273, P284, P304+P340, P316, P320, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 69 reports by companies from 4 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 | Commission Regulation (EC) No 33/20082011/23/EU, Reg. (EU) 2022/801, Reg. (EU) No 540/2011Status: Active Update: 09-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33074Triflumuron: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzamide, 2-chloro-N-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]-: Environment tier I assessmentIMAP assessments - Benzamide, 2-chloro-N-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]-: Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 2 (56.5%)Aquatic Acute 1 (43.5%)Aquatic Chronic 1 (43.5%) |
| Wassergefährdungsklasse (WGK) | 2 |
| RTECS-Nr. | CV2474000 |
| Toxizität | LD50 in rats, mice (mg/kg): >5000, >5000 i.p., s.c., orally (Zoebelein) |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Gefahrenklasse | Acute Tox. 2 Inhalation |
Anwendungen & Verwendung
Beschreibung
Triflumuron, a benzoylphenyl urea compound, is an insect development inhibitor that inhibits the synthesis of chitin. It is formulated as an off-shears pour-on lousicide for control of the sheep body louse Bovicola ovis.
Verwenden
Triflumuron is a benzoylphenylurea insecticide. Triflumuron is a chitin synthesis inhibitor used to control insects pests such as mosquitos and flies.