Etaconazole
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기본 정보
- CAS
60207-93-4- 표준 SMILES
CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1- InChIKey
DWRKFAJEBUWTQM-UHFFFAOYSA-N- 분자식
- C14H15Cl2N3O2
- 평균 분자량
- 328.2 g/mol
- 단동위원소 질량
- 327.0541321
개요
Etaconazole is a member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2,4-dichlorophenyl and 1,2,4-triazol-1-ylmethyl groups and at position 4 by an ethyl group. An obsolete fungicide that was used to control powdery mildew on fruit and other crops. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a dichlorobenzene, a member of triazoles, a dioxolane, a cyclic ketal, a conazole fungicide and a triazole fungicide.
이름 및 식별자
- 우선 이름
- Etaconazole
- IUPAC
- 1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
- 영어명
- ETACONAZOLE
- 분자식
- C14H15Cl2N3O2
- 분자량
- 328.19
이름 및 동의어
Etaconazole60207-93-4SonaxCGA 64251DTXSID20419133MT15AE9VGCGA-642511-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole1-((2-(2,4-Dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazoleCHEBI:4874DTXCID00219131-[[2-(2,4-Dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole
이름 더 보기
benitC11293vangardcga64251Etaconazole 0C13215000 EtaconazolePicoxystrobin Impurity 9
1-{[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole1H-1,2,4-Triazole, 1-((2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1-((2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1,2,4-triazoleRefChem:591345262-107-0630-449-3Etaconazol
데이터베이스 식별자
- CAS
60207-93-4
물성
구조 계산 물성보충 중
- XLogP
- 3
- 극성 표면적
- 49.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 363
실험 및 물리화학적 성질
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
LogP3.03
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section175.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2041913]
물리화학적 성질
- 녹는점
- 75 · 75-93℃
- 끓는 점
- 470.2 · 470.2±55.0 °C(Predicted)
- 밀도
- 1.5146 · 1.5146 (rough estimate)
- 굴절률
- 1.607 · 1.6070 (estimate)
- 저장 조건
- -20 °C · -20°C
- 산도 계수 (pKa)
- 2.94 · 2.94±0.12(Predicted)
- Henry's Law Constant
- 7.9 · 7.9×103 mol/(m3Pa) at 25℃, MacBean (2012)
- 주요 응용
- 농업환경
- InChI
- 1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 9.4% (3 of 32) of reports.
H411 (87.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 32 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Other Safety InformationIMAP assessments - 1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 2 (87.5%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 29349990
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Etaconazol is a pesticide and fungicide.
상·하류 제품 정보
상류 원료
추가 설명
정의ChEBI: A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2,4-dichlorophenyl and 1,2,4-triazol-1-ylmethyl groups and at position 4 by an ethyl group. An obsolete fungicide that was used to control powdery mildew on fruit and ot er crops.
관련 반응
2건
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