기본 정보
- CAS
66345-62-8- 표준 SMILES
CC(C)(C)C(O)C(Cc1ccc(Cl)cc1Cl)n1cncn1- InChIKey
URDNHJIVMYZFRT-UHFFFAOYSA-N- 분자식
- C15H19Cl2N3O
- 평균 분자량
- 328.2 g/mol
- 단동위원소 질량
- 327.0905176
개요
Diclobutrazol is a conazole fungicide and a triazole fungicide.
이름 및 식별자
- 우선 이름
- Diclobutrazol
- IUPAC
- 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
- 현지명
- 알파-tert-부틸-베타-[(2,4-디클로로페닐)메틸]-1H-1,2,4-트리아졸-1-에탄올
- 영어명
- alpha-tert-butyl-beta-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-1-ethanol
- 분자식
- C15H19Cl2N3O
- 분자량
- 328.24
이름 및 동의어
DICLOBUTRAZOL75736-33-31-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-olVigilexDicyclobutrazoleDTXSID2058178VIGIL, (DICLOBUTRAZOL)-RefChem:586844DTXCID301079162PP-2961 (2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol266-324-1
이름 더 보기
알파-tert-부틸-베타-[(2,4-디클로로페닐)메틸]-1H-1,2,4-트리아졸-1-에탄올Papaverine Impurity 13-d3alpha-tert-butyl-beta-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-1-ethanolβ-[(2,4-Dichlorophenyl)methyl]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol1H-1,2,4-Triazole-1-ethanol, β-[(2,4-dichlorophenyl)methyl]-α-(1,1-dimethylethyl)-1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-
G0E609666R66345-62-8DichlobutrazolVigilDiclobutrazol [BSI:ISO]PP296DiclobutrazoleEINECS 266-324-1
데이터베이스 식별자
- CAS
66345-62-8、75736-33-3- PubChem CID
- 53309
- DTXSID
DTXSID90868378- ChEMBL
CHEMBL1553129- ChEBI
CHEBI:4506- EC Number
- 266-324-1、620-436-0
- Nikkaji
- J286.770B
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 50.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 337
실험 및 물리화학적 성질
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Pesticide (Diclobutrazol) -> USDA PDB
LogP3.81
물리화학적 성질
- 끓는 점
- 484.3 · 484.3±55.0 °C(Predicted)
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.86 · 13.86±0.20(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 1H-1,2,4-Triazole-1-ethanol, .beta.-[(2,4-dichlorophenyl)methyl]-.alpha.-(1,1-dimethylethyl)-
2002/2076
Other Safety Information
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
IMAP assessments - 1H-1,2,4-Triazole-1-ethanol, .beta.-[(2,4-dichlorophenyl)methyl]-.alpha.-(1,1-dimethylethyl)-, (R*,R*)-(.+-.)-: Environment tier I assessment
Hazard Classes and Categories
Eye Irrit. 2 (100%)
Eye irritation - category 2
Eye Irrit. 2
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