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Indoxacarb, (+-)-
indeno[1,2-e][1,3,4}oxadiazine-4a(3h)carboxylic · METHYL 7-CHLORO-2,5-DIHYDRO-2-[N-(METHOXYCARBONYL)-4-(TRIFLUOROMETHOXY)ANILINOCARBONYL]INDENO[1,2-E][1,3,4]OXADIAZINE-4A(3H)CARBOXYLATE · 7-Chloro-2,5-dihydro-2-(((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)amino)carbonyl)-indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid methyl ester · 2-e][1 · (RS)-Form · INDOXACARB · INDOXACARB-MP · rac-Indoxacarb
Identifikatoren & physikalische Daten
| CAS No. | 144171-61-9 |
|---|---|
| Summenformel | C22H17ClF3N3O7 |
| Durchschnittliche Molmasse | 527,8 g/mol |
| Monoisotopische Masse | 527,07071222 g/mol |
| SMILES | COC(=O)N(C(=O)N1COC2(C(=O)OC)Cc3cc(Cl)ccc3C2=N1)c1ccc(OC(F)(F)F)cc1 |
| InChIKey | VBCVPMMZEGZULK-UHFFFAOYSA-N |
| PubChem CID | 9936739 |
| ChEMBL | CHEMBL1902546 |
| EC No. | 604-398-2 |
| DTXSID | DTXSID3040801 |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 107 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 11 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 36 |
| Formalladung | 0 |
| Komplexität | 912 |
| Collision Cross Section | 205.6 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3040801] |
| Schmelzpunkt | 139-141℃ |
| Siedepunkt | 571.4±60.0 °C(Predicted) |
| Dichte | 1.53 |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | Ethanol: soluble* |
| pKa (Säurekonstante) | -1.75±0.40(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to off-white |
| Hauptanwendungen | agricultureenvironmental |
| InChI | InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3 |
| InChIKey | VBCVPMMZEGZULK-NRFANRHFSA-N |
| SMILES | O1C2(C(OC)=O)CC3=C(C2=NN(C(N(C(OC)=O)C2=CC=C(OC(F)(F)F)C=C2)=O)C1)C=CC(Cl)=C3 |
| EPA chemische Informationen | Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester (144171-61-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P317, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)H301 (51.3%): Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (51.3%)Acute toxicity - category 3 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3077 |
| R-Sätze (R) | 22-36-43-50/53-57-48/25-20/22 |
| Toxizität | LD50 orally in rat: >5000 mg/kgdermally in rabbit: >2000 mg/kgLC50 in rat by inhalation: >2 mg/lLC50 (96 hr) in bluegill sunfish, rainbow trout: >1.0, >0.5 mg/l (Harder) |
| Gefahrensymbole | XnN,N,Xn,T |
| Sicherheitshinweise (S) | 26-36/37-60-61-45-37-24 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 OralAcute Tox. 4 InhalationAquatic Acute 1Aquatic Chronic 1Skin Sens. 1BSTOT RE 1 |
Anwendungen & Verwendung
Verwenden
Indoxacarb is an oxadiazine pesticide that acts against lepidopteran larvae and is the active ingredient in a number of household insecticides including cockroach baits.