이미벤코나졸
Imibenconazole
기본 정보
- CAS
86598-92-7- 표준 SMILES
Clc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1- InChIKey
AGKSTYPVMZODRV-UHFFFAOYSA-N- 분자식
- C17H13Cl3N4S
- 평균 분자량
- 411.7 g/mol
- 단동위원소 질량
- 409.992651
개요
Imibenconazole is a member of the class of imidothioates that is the S-4-chlorobenzyl thioester of N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioic acid. Used to control a range of fungal diseases affecting fruit, vegetables, turf and ornamentals. It has a low mammalian toxicity and shows a moderate level of toxicity to fish, daphnia and earthworms but is relatively non-toxic to honey bees, birds and algae. 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 member of monochlorobenzenes, an imidothioate, a conazole fungicide and a triazole fungicide.
이름 및 식별자
- 우선 이름
- Imibenconazole
- IUPAC
- (4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimidothioate
- 현지명
- 이미벤코나졸
- 영어명
- IMIBENCONAZOLE
- 분자식
- C17H13Cl3N4S
- 분자량
- 411.74
이름 및 동의어
Imibenconazole86598-92-7ManageImibenconazole [ISO]HF 6305HF 8505UNII-KQY333M0BEKQY333M0BE4-Chlorobenzyl N-2,4-dichlorophenyl-2-(1H-1,2,4-triazol-1-yl)thioacetamidateIMIBENCONAZOLE [MI]HF-6305HF-8505
이름 더 보기
이미벤코나졸4-클로로벤질 N-(2,4-다이클로로페닐)-2-(1H-1,2,4-트라이아졸-1-일)티오아 세티미드산hf8505hf6305imibenconazolIMIBENZONAZOLEenyl)methylesterIMIBENCONAZOLE STANDARDC14283600 Imibenconazole
1H-1,2,4-Triazole-1-ethanamidothioic acid, N-(2,4-dichlorophenyl)-, (4-chlorophenyl)methyl esterDTXSID7058204CHEBI:81767(4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanimidothioateN-(2,4-Dichlorophenyl)-1H-1,2,4-triazole-1-ethanimidothioic acid (4-chlorophenyl)methyl ester1,2,4-TRIAZOL-1-YL-ISOTHIOACETIC ACID 2',4'-DICHLOROANILIDE S-P-CHLOROBENZYL ETHER4-CHLOROBENZYL (EZ)-N-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YL)THIOACETAMIDATE4-chlorobenzyl N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioate
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 68.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 446
실험 및 물리화학적 성질
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
LogP4.94
물리화학적 성질
- 녹는점
- 89.5 · 89.5-90°
- 끓는 점
- 567.4 · 567.4±60.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 증기압
- 8.5 x · 8.5 x l0-8 Pa (25 °C)
- 인화점
- 4 ℃ · 4℃
- 저장 조건
- 0 · 0-6°C
- 수용성
- 1.7 mg · 1.7mg l-1(20°C)
- 산도 계수 (pKa)
- 1.81 · 1.81±0.10(Predicted)
- Henry's Law Constant
- 4.9 · 4.9×104 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H261 (100%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]
P203, P231+P232, P260, P261, P264, P270, P272, P273, P280, P302+P352, P308+P316, P318, P319, P321, P333+P317, P362+P364, P370+P378, P391, P402+P404, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Warning
H303: May be harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Hazard Classes and Categories
Skin Sens. 1 (100%)
Acute toxicity (Oral) - Category 5
안전 데이터
- wgk
- 2
- rtecs
- XZ4803030
- ridadr
- UN 1648 3 / PGII
- 독성
- LD50 in male, female rats, male, female mice (mg/kg): 2800, 3000, >5000, >5000 orally; in male, female rats (mg/kg): >2000, >2000 dermally; in honey bees (mg/bee): >125 orally; LC50 (48 hr) in carp: 1.02 ppm; LC50 (6 hr) in water fleas: >102 ppm (Ogawa)
- risk_code
- 11-20/21/22-36
- hazard_code
- F,Xn
- safety_code
- 16-36/37
- 기존화학 물질
- KE-05-1300
- 함량 및 규제정보
- 물질구분: 유독물질; 혼합물(제품)함량정보: 이미벤코나졸 및 이를 25% 이상 함유한 혼합물
- 유해화학물질 필터링
- 97-1-223
화학 및 산업
응용 분야
용도Imibenconazole is used to control scab, powdery mildew, Alternaria leaf spot, sooty blotch, fly speck and rust on apples, scab and rust on pears, scab and powdery mildew on fruits, and anthracnose and other diseases on roses and chrysanthemums.
상·하류 제품 정보
상류 원료
추가 설명
정의ChEBI: A member of the class of imidothioates that is the S-4-chlorobenzyl thioester of N-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanimidothioic acid. Used to control a range of fungal diseases affect ng fruit, vegetables, turf and ornamentals. It has a low mammalian toxicity and shows a moderate level of toxicity to fish, daphnia and earthworms but is relatively non-toxic to honey bees, birds and algae.
관련 반응
2건
화합물 노트
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