기본 정보
- 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
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
이름 더 보기
데이터베이스 식별자
- CAS
86598-92-7- PubChem CID
- 93483
- DTXSID
DTXSID7058204- ChEMBL
CHEMBL3218922- ChEBI
CHEBI:81767- UNII
- KQY333M0BE
- EC Number
- 617-888-6
- Nikkaji
- J632.145C
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
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
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];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity];H371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure];H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
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.
유해성 정보
Hazard Classes and Categories
Skin Sens. 1 (100%);Repr. 2 (100%);STOT SE 2 (100%);STOT RE 2 (100%);Aquatic Acute 1 (100%);Aquatic Chronic 1 (100%)
Acute toxicity (Oral) - Category 5;Serious eye damage/eye irritation - Category 2B;Skin sensitization - Category 1;Reproductive toxicity - Category 2;Specific target organ toxicity - Single exposure - Category 2 (nervous system);Specific target organ toxicity - Repeated exposure - Category 2 (blood system, spleen, urinary bladder, liver);Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1
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
공급사27 곳
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.
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