기본 정보
- CAS
117428-22-5- 표준 SMILES
CO/C=C(/C(=O)OC)c1ccccc1COc1cccc(C(F)(F)F)n1- InChIKey
IBSNKSODLGJUMQ-SDNWHVSQSA-N- 분자식
- C18H16F3NO4
- 평균 분자량
- 367.3 g/mol
- 단동위원소 질량
- 367.10314265
개요
Picoxystrobin is an enoate ester that is the methyl ester of (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-2-enoic acid. A cereal fungicide used to control a wide range of diseases including brown rust, tan spot, powdery mildew and net blotch. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is a member of pyridines, an aromatic ether, an organofluorine compound, an enol ether, an enoate ester and a methoxyacrylate strobilurin antifungal agent.
이름 및 식별자
- 우선 이름
- Picoxystrobin
- IUPAC
- methyl (E)-3-methoxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]prop-2-enoate
- 영어명
- Picoxystrobin
- 분자식
- C18H16F3NO4
- 분자량
- 367.32
이름 및 동의어
Picoxystrobin117428-22-5DTXSID904754262DH7GEL1PDTXCID7027542CHEBI:83197methyl (2E)-3-methoxy-2-(2-(6-(trifluoromethyl)-2-pyridyloxymethyl)phenyl)acrylatemethyl (2E)-3-methoxy-2-{2-[6-(trifluoromethyl)-2-pyridyloxymethyl]phenyl}acrylatemethyl (alphaE)-alpha-(methoxymethylene)-2-(((6-(trifluoromethyl)-2-pyridinyl)oxy)methyl)benzeneacetatemethyl (alphaE)-alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]benzeneacetateRefChem:174175Picoxystrobin [ISO]
이름 더 보기
METHYL (E)-ALPHA-METHOXYMETHYLENE-2-(3-TRIFLUOROMETHYL-2-PYRIDYLOXYMETHYL)PHENYLACETATEMethyl (E)-3-methoxy-2-(2-(((6-(trifluoromethyl)pyridin-2-yl)oxy)methyl)phenyl)acrylateACANTOZA196350%PicoxystrobinPicoxystrobin 96%Picoxystrobin 98%minPicoxystrobin Solution
Methyl (E)-3-methoxy-2-[2-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]phenyl]prop-2-enoate(E)-Methyl 3-methoxy-2-(2-(((6-(trifluoromethyl)pyridin-2-yl)oxy)methyl)phenyl)acrylatemethyl (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-2-enoateBenzeneacetic acid, alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (alphaE)-UNII-62DH7GEL1PMFCD04112618Picoxystrobin (Standard)PICOXYSTROBIN [MI]
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 57.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 495
실험 및 물리화학적 성질
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Environmental transformation -> Pesticides (parent, predecessor)
Fungicides
Pesticide (Picoxystrobin) -> USDA PDB
Human DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
179.3 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9047542]
177.5 Ų [M+H]+ [CCS Type: TW]
물리화학적 성질
- 녹는점
- 75 ° · 75°
- 끓는 점
- 453.1 · 453.1±45.0 °C(Predicted)
- 밀도
- 20 · d20 1.4
- 증기압
- 34 hPa · 34hPa at 20℃
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 100 mg/mL · DMSO : 100 mg/mL (272.24 mM; Need ultrasonic)
- 산도 계수 (pKa)
- -1.09 · -1.09±0.24(Predicted)
- 물리적 상태
- Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H319 (98.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P261, P264+P265, P271, P273, P280, P304+P340, P305+P351+P338, P317, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Commission Regulation No 844/2012
Picoxystrobin is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
03/84/EC, Reg. (EU) 2016/950, Reg. (EU) 2017/1455, Reg. (EU) No 540/2011, Reg. (EU) No 823/2012
Status: Active Update: 15-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21001
Picoxystrobin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesEye Irrit. 2 (98.9%)
독성 정보
RAIS Toxicity Values
0.2
OPP
0.046
OPP
EPA Human Health Benchmarks for Pesticides
Picoxystrobin
0.2
1000
Children
0.046
270
안전 데이터
- wgk
- 2
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationChemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.
용도 및 제조
Use Classification
Pharmaceuticals
Environmental transformation -> Pesticides (parent, predecessor)
Fungicides
응용 분야
개요Picoxystrobin (methyl (E)-3-methoxy-2-[22(6-trifluoromethyl- 2-pyridyloxymethyl)phenyl]acrylate from Zeneca Agrochemicals (now Syngenta Crop Protection) was first described by Godwin et al. (33), and is being developed for broad-spectrum control of cereal diseases. The redistribution properties of the molecule, which combine xylem systemicity and vapor phase activity, are considered important in achieving high levels of control of a range of diseases. Picoxystrobin has favorable safety and environmental profiles, and enhances grain yield and quality.
용도Picoxystrobin is an methoxyacrylate strobilurin fungicide designed for the control of wide range of cereal diseases.
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