Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Penflufen
Evergol? · Penflufen · Penflufen Solution · Penflufen in Acetone · Penflufen in Acetonitrile · Penflufen@100 μg/mL in Methanol · Penflufen 100 μg/mL in Acetonitrile · 2′-[(RS)-1,3-Dimethylbutyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxanilide
식별자 및 물리적 특성
| CAS No. | 494793-67-8 |
|---|---|
| 분자식 | C18H24FN3O |
| 평균 분자량 | 317.4 g/mol |
| 단동위원소 질량 | 317.19034061 g/mol |
| SMILES | Cc1nn(C)c(F)c1C(=O)Nc1ccccc1C(C)CC(C)C |
| InChIKey | GOFJDXZZHFNFLV-UHFFFAOYSA-N |
| PubChem CID | 11674113 |
| ChEBI | CHEBI:83134 |
| EC No. | 619-823-7 |
| DTXSID | DTXSID9058107 |
화학 및 물리적 성질
| XLogP | 4.4 |
|---|---|
| 극성 표면적 | 46.9 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 23 |
| 형식 전하 | 0 |
| 복잡도 | 404 |
| 농약 | FungicidesActive substance -> EU Pesticides database: Not approvedPesticide (Penflufen) -> USDA PDB |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 끓는 점 | 381.0±42.0 °C(Predicted) |
| 밀도 | 1.12±0.1 g/cm3(Predicted) |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(매우 소량) |
| pKa(산도 계수) | 11.69±0.70(Predicted) |
| 물리적 상태 | Solid |
| 색상 | White to off-white |
| BRN | 12363231 |
| 헨리 상수 | 3.2×104 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| 주요 응용 | 농업환경 |
| InChI | 1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23) |
| InChIKey | GOFJDXZZHFNFLV-UHFFFAOYSA-N |
| SMILES | CC(C)CC(C)c1ccccc1NC(=O)c2c(C)nn(C)c2F |
| EPA | 1H-Pyrazole-4-carboxamide, N-[2-(1,3-dimethylbutyl)phenyl]-5-fluoro-1,3-dimethyl- (494793-67-8) |
안전 및 규제
| GHS 분류 | WarningH351: Suspected of causing cancer [Warning Carcinogenicity]P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)H351 (62.9%): Suspected of causing cancer [Warning Carcinogenicity] |
|---|---|
| 규제 정보 | Regulation (EC) No 1107/2009 (amended)Penflufen is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)Reg. (EU) 2018/155, Reg. (EU) 2020/2007, Reg. (EU) 2022/1468, Reg. (EU) 2023/1447, Reg. (EU) No 1031/2013, Reg.(EU) No 2018/185 |
| Hazard Classes and Categories | Carc. 2 (62.9%)Carcinogenicity - category 2 |
| RAIS Toxicity Values | 0.5OPP0.38 |
| EPA Human Health Benchmarks for Pesticides | Penflufen0.53000Children0.382200 |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 3077 9 / PGIII |
| 위험 문구(R) | 50/53 |
| 위험 표시 | N |
| 안전 문구(S) | 61 |
| 위험 등급 | Aquatic Acute 1Aquatic Chronic 1Carc. 2 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Penflufen fungicidal compounds for controlling or preventing infestation of plants by phytopathogenic microorganisms.