基本情報
- CAS
74738-17-3- 標準SMILES
N#Cc1c[nH]cc1-c1cccc(Cl)c1Cl- InChIKey
FKLFBQCQQYDUAM-UHFFFAOYSA-N- 分子式
- C11H6Cl2N2
- 平均分子量
- 237.08 g/mol
- 単同位体質量
- 235.99080355
概要
Fenpiclonil is a member of the class of pyrroles carrying cyano and 2,3-dichlorophenyl substituents at positions 3 and 4 respectively. A fungicide used mainly to control seed-borne pathogens in cereal crops. It has a role as an antifungal agrochemical. It is a nitrile, a dichlorobenzene and a member of pyrroles.
名称と識別子
- 優先名称
- Fenpiclonil
- IUPAC
- 4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile
- 現地名
- フェンピクロニル
- 英語名
- FENPICLONIL
- 分子式
- C11H6Cl2N2
- 分子量
- 237.08
名称と別名
Fenpiclonil74738-17-3Beret4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile3-(2,3-Dichlorophenyl)-4-cyanopyrrole4-Cyano-3-(2,3-dichlorophenyl)pyrroleGALBASCGA 14270521OCB8KDQ9CGA-142705CHEBI:34759RefChem:598903
名称をさらに表示
フェンピクロニル標準品フェンピクロニル4-(2,3-ジクロロフェニル)-1H-ピロール-3-カルボニトリルFenpiclonicga142705fenpiclonil (bsi,iso)Fenpiclonil in AcetonitrileBenazolin-ethyl Impurity 12Fenpiclonil 10.0 μg/ml Acetonitrile
Fenpiclonil [ISO]1H-Pyrrole-3-carbonitrile, 4-(2,3-dichlorophenyl)-4-(2,3-Dichlorophenyl)pyrrole-3-carbonitrileGambitUNII-21OCB8KDQ9BRN 5433281FenpicionilFENPICLONIL [MI]
データベース識別子
- CAS
74738-17-3- PubChem CID
- 91724
- DTXSID
DTXSID0036633- ChEMBL
CHEMBL1770195- ChEBI
CHEBI:34759- UNII
- 21OCB8KDQ9
- EC Number
- 616-132-2
- Nikkaji
- J470.032E
物性
構造計算による物性
- XLogP
- 4.3
- 極性表面積
- 39.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 1
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 273
実験および物理化学的性質
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
LogP3.78
Human DrugsPharmaceuticals
物理化学的性質
- 融点
- 152.9 ℃ · 152.9℃
- 沸点
- 378.43 °C · 378.43°C (rough estimate)
- 比重(密度)
- 1.4052 · 1.4052 (rough estimate)
- 蒸気圧
- 1.1 x · 1.1 x 10-7 Pa (25 °C)
- 屈折率
- 1.64 · 1.6400 (estimate)
- 水溶解度
- 25 °C · 25 °C の水中で 4.8 mg l-1
- 酸解離定数(Pka)
- 13.63 · 13.63±0.50(Predicted)
- Merck
- 13 · 13,4016
- BRN
- 5433281 · 5433281
- Henry's Law Constant
- 1.8 · 1.8×103 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- 主な用途
- 農業環境
- InChI
- 1S/C11H6Cl2N2/c12-10-3-1-2-8(11(10)13)9-6-15-5-7(9)4-14/h1-3,5-6,15H
- InChIKey
- FKLFBQCQQYDUAM-UHFFFAOYSA-N
- SMILES
- Clc1cccc(c1Cl)-c2c[nH]cc2C#N
- EPAの化学物質情報
- 1 H-Pyrrole-3-carbonitrile, · 1H-Pyrrole-3-carbonitrile, 4-(2,3-dichlorophenyl)- (74738-17-3)
安全と法規制
GHS分類
GHS Classification
Warning
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P271, P304+P340, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 67 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
2002/2076
Fenpiclonil: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- wgk
- 2
- rtecs
- UX9347500
- ridadr
- 3077
- 毒性
- LD50 in rats, mice, rabbits (mg/kg): >5000 orally; LD50 dermally in rats: >2000 mg/kg; LC50 (4 hr) in rats: >1502 mg/m3 by inhalation (Nevill)
- risk_code
- 20
- hazard_code
- Xn
- hazard_class
- 9
- packing_group
- III
- 毒劇物取締法
- III
- Hazard Classifications
- Acute Tox. 4 Inhalation
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
Use ClassificationPharmaceuticals
応用分野
説明Fenpiclonil is the first phenylpyrrole fungicide developed by Ciba Geigy (now belonging to the portfolio of Syngenta Crop Protection AG) for seed treatment. Different formulation types have been used for its commercialization either in solo (trade name “Beret”) or in mixture with other fungicides, as for instance, imazalil (“Beret Special”) or carboxin + imazalil (“Beret Universal”).
使用Fenpiclonil is a systemic and contact fungicide that provides protective control of seed-borne pathogens of cereals such as snow mould and bunt caused by Fusarium spp., Tilletia caries, Septoria nodorum, etc. It also controls leaf spot, brown foot rot and ear blight in non-cereal crops.
一般的な説明Fenpiclonil is a phenylpyrrole fungicide and a structural analogue of the antibiotic pyrrolnitrin found to be toxic to representatives of Ascomycetes, Basidiomycetes, and Deuteromycetes.
上流・下流製品情報
上流原料
サプライヤー17 社
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海毕楷科技有限公司18516304666
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
上海源叶生物科技有限公司13636370518 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
亚索试剂400-873-6778 18660992876 · [email protected]
補足説明
定義ChEBI: A member of the class of pyrroles carrying cyano and 2,3-dichlorophenyl substituents at positions 3 and 4 respectively. A fungicide used mainly to control seed-borne pathogens in cereal crops.
関連反応
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