기본 정보
- CAS
494793-67-8- 표준 SMILES
Cc1nn(C)c(F)c1C(=O)Nc1ccccc1C(C)CC(C)C- InChIKey
GOFJDXZZHFNFLV-UHFFFAOYSA-N- 분자식
- C18H24FN3O
- 평균 분자량
- 317.4 g/mol
- 단동위원소 질량
- 317.19034061
개요
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide is an aromatic amide obtained by formal condensation of the carboxy group of 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid with the amino group of 2-(4-methylpentan-2-yl)aniline. It is a member of pyrazoles, an organofluorine compound and an aromatic amide.
이름 및 식별자
- 우선 이름
- Penflufen
- IUPAC
- 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
- 영어명
- penflufen
- 분자식
- C18H24FN3O
- 분자량
- 317.4
이름 및 동의어
Penflufen494793-67-8Pyflufen8252E275KT5-Fluoro-1,3-dimethyl-N-(2-(1,3-dimethylbutyl)phenyl)-1H-pyrazole-4-carboxamideN-(2-(1,3-Dimethylbutyl)phenyl)-1,3-dimethyl-5-fluoro-1H-pyrazole-4-carboxamideDTXSID9058107RefChem:859404DTXCID2031875CHEBI:83133Penflufen, (+/-)-N-[2-(1,3-dimethylbutyl)phenyl]-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide
이름 더 보기
Evergol?Penflufen SolutionPenflufen in AcetonePenflufen in AcetonitrilePenflufen@100 μg/mL in MethanolPenflufen 100 μg/mL in Acetonitrile2′-[(RS)-1,3-Dimethylbutyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxanilide1H-Pyrazole-4-carboxamide, N-[2-(1,3-dimethylbutyl)phenyl]-5-fluoro-1,3-dimethyl-
UNII-8252E275KT5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-4-carboxamide2'-((RS)-1,3-dimethylbutyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxanilide5-Fluoro-1,3-dimethyl-N-(2-(4-methylpentan-2-yl)phenyl)-1H-pyrazole-4-carboxamideEvergolC18H24FN3O5-Fluoro-1,3-dimethyl-N-[2-(1,3-dimethylbutyl)phenyl]-1H-pyrazole-4-carboxamide; Cerenturf Forte; Emesto; N-[2-(1,3-Dimethylbutyl)phenyl]-1,3-dimethyl-5-fluoro-1H-pyrazole-4-carboxamide; Pyflufen;
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 46.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 404
실험 및 물리화학적 성질
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Fungicides
Pesticide (Penflufen) -> USDA PDB
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 381 · 381.0±42.0 °C(Predicted)
- 밀도
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름(약간 용해됨), 메탄올(매우 소량)
- 산도 계수 (pKa)
- 11.69 · 11.69±0.70(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
- BRN
- 12363231 · 12363231
- Henry's Law Constant
- 3.2 · 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
안전 및 규제
GHS 분류
GHS Classification
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Warning
H351 (62.9%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
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
Carcinogenicity - Category 2
Carc. 2
독성 정보
RAIS Toxicity Values
0.5
OPP
0.38
OPP
EPA Human Health Benchmarks for Pesticides
Penflufen
0.5
3000
Children
0.38
2200
안전 데이터
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 61
화학 및 산업
용도 및 제조
Use ClassificationFungicides
응용 분야
용도Penflufen fungicidal compounds for controlling or preventing infestation of plants by phytopathogenic microorganisms.
공급사24 곳
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