HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Mepanipyrim
FRUPICA · MEPANIPYRIM · Mepanioyrim · mepanipyrin · Mepanipyrim 50 · Mepanipyrim-D5 · Mepanipyrim [iso] · MEPANIPYRIM STANDARD
Identifikatoren & physikalische Daten
| CAS No. | 110235-47-7 |
|---|---|
| Summenformel | C14H13N3 |
| Durchschnittliche Molmasse | 223,27 g/mol |
| Monoisotopische Masse | 223,11094742 g/mol |
| SMILES | CC#Cc1cc(C)nc(Nc2ccccc2)n1 |
| InChIKey | CIFWZNRJIBNXRE-UHFFFAOYSA-N |
| PubChem CID | 86296 |
| ChEMBL | CHEMBL2269513 |
| ChEBI | CHEBI:6751 |
| EC No. | 432-140-7 |
| DTXSID | DTXSID4042121 |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 295 |
| Pestizide | Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Not approvedFungicidesPesticide (Mepanipyrim) -> USDA PDB |
| LogP (Verteilungskoeffizient) | 3.42 |
| Ionization Efficiency | Positive3.872.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Collision Cross Section | 147.3 Ų [M]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID4042121]152.07 Ų [M+H]+ [CCS Type: TW]153.05 Ų [M+H]+ [CCS Type: TWIonization: GC-APCI+]152.76 Ų [M+H]+ |
| Schmelzpunkt | 125-126° (Maeno)also reported as 132.8° (Hayashi) |
| Siedepunkt | 418.2±47.0 °C(Predicted) |
| Dichte | 1.16±0.1 g/cm3(Predicted) |
| Dampfdruck | 2.32 x l0-5 Pa (20 °C) |
| Flammpunkt | 131 °C |
| Lagerbedingungen | 0-6°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)3.1 mg l-1(20 °C) |
| pKa (Säurekonstante) | 4.5 (est. base) |
| Farbe | White to Off-White |
| Henry-Konstante | 6.0×102 mol/(m3Pa) at 25℃, Maniere et al. (2011) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17) |
| InChIKey | CIFWZNRJIBNXRE-UHFFFAOYSA-N |
| SMILES | CC#Cc1cc(C)nc(Nc2ccccc2)n1 |
| LogP (Verteilungskoeffizient) | 3.280 |
| EPA chemische Informationen | Mepanipyrim (110235-47-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH351: Suspected of causing cancer [Warning Carcinogenicity]P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)H351 (100%): Suspected of causing cancer [Warning Carcinogenicity] |
|---|---|
| Regulatorische Informationen | Hazard Traits - CarcinogenicityCommission Regulation No 844/20122004/62/EC, Reg. (EU) 2016/2016, Reg. (EU) 2018/524, Reg. (EU) 2019/168, Reg. (EU) 2020/421, Reg. (EU) 2021/566, Reg. (EU) 2022/378, Reg. (EU) 2023/689, Reg. (EU) 2024/1217, Reg. (EU) No 540/2011REACH registered substance: Mepanipyrim (EC: 432-140-7) |
| Hazard Classes and Categories | Carc. 2 (100%)Carcinogenicity - category 2 |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN3077 9/PG 3 |
| RTECS-Nr. | UV6261540 |
| R-Sätze (R) | 51/53-50/53-40 |
| Toxizität | LD50 in mice, rats, bobwhite, mallard (mg/kg): >5000, >5000, >2250, >2250 orallyin rats (mg/kg): >2000 dermallyLC50 in bluegill, rainbow trout (mg/l): 3.8, 3.1 (Maeno) |
| Gefahrensymbole | N,Xn |
| Sicherheitshinweise (S) | 60-61-46-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 1Carc. 2 |
Anwendungen & Verwendung
Verwenden
Mepanipyrim is an anilinopyrimidine fungicide which have been used in the management of fungal diseases in strawberries.