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기본 정보
- CAS
353292-31-6- 표준 SMILES
CCOC(=O)COc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl- InChIKey
XPEVJXBWHXAUDR-UHFFFAOYSA-N- 분자식
- C21H16ClF4N3O6
- 평균 분자량
- 517.8 g/mol
- 단동위원소 질량
- 517.06637579
개요
Epyrifenacil is an ethyl ester resulting from the formal condensation of the carboxy group of S-3100-CA with ethanol. It is a proherbicide for S-3100-CA and exhibits high efficacy against a wide range of broad-leaved weeds and grass weeds. It has a role as a proherbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is an ethyl ester, a member of pyridines, an aromatic ether, an organofluorine compound, a pyrimidone, a diether, a member of monochlorobenzenes and a member of monofluorobenzenes. It is functionally related to a S-3100-CA.
이름 및 식별자
- 우선 이름
- Epyrifenacil
- IUPAC
- ethyl 2-[[3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]-2-pyridinyl]oxy]acetate
- 영어명
- Trisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one,3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-,(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-
- 분자식
- C21H16ClF4N3O6
- 분자량
- 517.81
이름 및 동의어
Epyrifenacil353292-31-6syn-523RAE3HFQ5BKS-3100CHEBI:191218DTXSID5010205473-(2-Chloro-4-fluoro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl)phenoxy)-2-((ethoxycarbonyl)methoxy)pyridine3-[2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy]-2-((ethoxycarbonyl)methoxy)pyridineRefChem:137433DTXCID601478290Epyrifenacil [ISO]
이름 더 보기
Trisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-oneEthyl 2-((3-(2-chloro-4-fluoro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-2,3-dihydropyrimidin-1(6H)-yl)phenoxy)pyridin-2-yl)oxy)acetateAcetic acid, 2-[[3-[2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenoxy]-2-pyridinyl]oxy]-, ethyl esterTrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one,3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-,(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-
물성
구조 계산 물성보충 중
- XLogP
- 3.6
- 극성 표면적
- 98.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 844
물리화학적 성질
- 끓는 점
- 515.5 · 515.5±60.0 °C(Predicted)
- 밀도
- 1.491 · 1.491±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.3 · 2.30±0.10(Predicted)
- EPA
- 6 · Trisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)- (353292-31-6)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAquatic Acute 1 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H400
화학 및 산업
공급사4 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
北京科易通达科技发展有限公司17743531240 · [email protected]
扬州摩笛尔电子材料有限公司13761402923 19975033992 · [email protected]
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