Azaconazole
기본 정보
- CAS
60207-31-0- 표준 SMILES
Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1- InChIKey
AKNQMEBLVAMSNZ-UHFFFAOYSA-N- 분자식
- C12H11Cl2N3O2
- 평균 분자량
- 300.14 g/mol
- 단동위원소 질량
- 299.022832
개요
Azaconazole 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. A fungicide used mainly in ornamental crops to control canker and other diseases. Azaconazole is moderately toxic to mammals but is not expected to bioaccumulate. It is moderately toxic to birds, fish and aquatic invertebrates. 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
- Azaconazole
- IUPAC
- 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
- 영어명
- Azaconazole
- 분자식
- C12H11Cl2N3O2
- 분자량
- 300.14
이름 및 동의어
AZACONAZOLE60207-31-0AzaconazolAzaconazolum1-((2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazoleDTXSID3041613R-2864445683D94EUR-28,644DTXCID1021613CHEBI:818981H-1,2,4-Triazole, 1-((2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-
이름 더 보기
RODEWODAids108350azoconozoleSAFETRAY SLAids-108350Azaconazol, Vetranal
1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1-[[2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole1-{[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazoleRefChem:560433262-102-3MaduroxAzoconazole1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
데이터베이스 식별자
- CAS
60207-31-0- PubChem CID
- 43233
- DTXSID
DTXSID3041613- ChEMBL
CHEMBL261627
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 49.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 315
실험 및 물리화학적 성질
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Not approved
Fungicides
Pesticide (Azaconazole) -> USDA PDB
LogP2.32
Human DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
165.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3041613]
160.93 Ų [M+H]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
171.64 Ų [M+HCOO]-
물리화학적 성질
- 녹는점
- 109.9 ° · 109.9°
- 끓는 점
- 460.7 · 460.7±55.0 °C(Predicted)
- 밀도
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 증기압
- 8.6 x · 8.6 x l0-6 Pa (20 °C)
- 저장 조건
- 0 · 0-6°C
- 수용성
- 300 mg · 300mg l-1(20°C)
- 산도 계수 (pKa)
- 2.94 · 2.94±0.12(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
2002/2076
Azaconazole: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-: Environment tier I assessment
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
안전 데이터
- wgk
- 1
- rtecs
- XZ4605000
- HS 번호
- 29349990
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 46
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use Classification
Pharmaceuticals
Fungicides
응용 분야
용도Azaconazole is particularly active against wood-destroying and sapstain fungi. It is also used as a disinfectant in mushroom cultivation and on storage boxes for fruit and vegetables.
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. A fungicide used mainly in ornamental crops to control canker and other diseases. Azaconazole is moderately toxic to mammals but is not expected to bioaccumulate. It is moderately toxic to birds, fish and aquatic invertebrates.
관련 반응
3건
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