アザコナゾール
Azaconazole
基本情報
- CAS
60207-31-0- 標準SMILES
Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1- InChIKey
AKNQMEBLVAMSNZ-UHFFFAOYSA-N- 分子式
- C12H11Cl2N3O2
- 平均分子量
- 300.14 g/mol
- 単同位体質量
- 299.022832
概要
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.
名称と識別子
- 優先名称
- Azaconazole
- IUPAC
- 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
- 現地名
- アザコナゾール
- 英語名
- Azaconazole
- 分子式
- C12H11Cl2N3O2
- 分子量
- 300.14
名称と別名
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)-
名称をさらに表示
アゾコナゾール1-[[2-(2,4-ジクロロフェニル)-1,3-ジオキソラン-2-イル]メチル]-1H-1,2,4-トリアゾールアザコナゾールアザコナゾール標準品１［［２（２，４ジクロロフェニル）１，３ジオキソラン２イル］メチル］１Ｈ１，２，４トリアゾル1-{[2-(2,4-ジクロロフェニル)-1,3-ジオキソラン-2-イル]メチル}-1H-1,2,4-トリアゾール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
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 49.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 315
実験および物理化学的性質
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]-
物理化学的性質
- 融点
- 109.9 ° · 109.9°
- 沸点
- 460.7 · 460.7±55.0 °C(Predicted)
- 比重(密度)
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 蒸気圧
- 8.6 x · 8.6 x l0-6 Pa (20 °C)
- 貯蔵温度
- 0 · 0-6°C
- 水溶解度
- 300 mg · 300 mg l-1 (20 °C)
- 酸解離定数(Pka)
- 2.94 · 2.94±0.12(Predicted)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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)
危険有害性情報
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 *
安全データ
- wgk
- 1
- rtecs
- XZ4605000
- hs_code
- 29349990
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 46
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
Use Classification
Pharmaceuticals
Fungicides
応用分野
使用Azaconazole 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.
上流・下流製品情報
上流原料
補足説明
定義ChEBI: 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.
関連反応
3 件
化合物ノート
読み込み中…