Fipronil amide
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基本情報
- CAS
205650-69-7- 標準SMILES
NC(=O)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F- InChIKey
OPPWTDFHAFPGOT-UHFFFAOYSA-N- 分子式
- C12H6Cl2F6N4O2S
- 平均分子量
- 455.2 g/mol
- 単同位体質量
- 453.949271
名称と識別子
- 優先名称
- Fipronil amide
- IUPAC
- 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carboxamide
- 英語名
- FIPRONIL-CARBOXAMIDE
- 分子式
- C12H6Cl2F6N4O2S
- 分子量
- 455.16
名称と別名
Fipronil amide205650-69-7UNII-C8Q2U34I2XC8Q2U34I2X5-Amino-3-carbamoyl-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinylpyrazole1H-Pyrazole-3-carboxamide, 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfinyl)-DTXSID608734191H-Pyrazole-3-carboxamide, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-RefChem:140471DTXCID901011710Fipronil carboxamide5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carboxamide
名称をさらに表示
Fipronil Impurity 12Fipronil-carboxamide 100 μg/mL in AcetonitrileFipronil-carboxamide, 100 μg /μL in acetonitrile2,6-Dichloro-4-trifluoroMethylphenyl)-3-carboxaMido-4-trifluoroMethylsulfinyl-5-aMinopyrazole1-(2,6-Dichloro-4-trifluoromethylphenyl)-3-carboxamido-4-trifluoromethylsulfinyl-5-aminopyrazole1-(2,6-dichloro-4-trifluoromethylphenyl)-3-carboxamido-4-trifluoromethylsulfinyl-5-aminopyrazole,rp5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carboxamide
Fipronil-carboxamideFipronil Amide; 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carboxamide; Fipronil-carboxamideC12H6Cl2F6N4O2SSCHEMBL7779071OPPWTDFHAFPGOT-UHFFFAOYSA-NMSK20628MFCD08273873RPA 200766
データベース識別子
- CAS
205650-69-7- PubChem CID
- 9933690
- DTXSID
DTXSID60873419- UNII
- C8Q2U34I2X
- EC Number
- 109-907-7
- Nikkaji
- J1.496.037F
物性
構造計算による物性補完中
- XLogP
- 3.7
- 極性表面積
- 123 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 11
- 回転可能結合数
- 3
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 597
実験および物理化学的性質
Pesticides
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticide degradation product
物理化学的性質
- 融点
- 224 °C · 224 °C
- 沸点
- 496.4 · 496.4±45.0 °C(Predicted)
- 比重(密度)
- 1.97 · 1.97±0.1 g/cm3(Predicted)
- 溶解性
- DMSO (Slightly), Methanol (Slightly)
- 外見
- Solid
- 酸解離定数(Pka)
- 14.44 · 14.44±0.50(Predicted)
- 色
- White to Off-White
- InChI
- 1S/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)
- InChIKey
- OPPWTDFHAFPGOT-UHFFFAOYSA-N
- SMILES
- NC1=C(S(C(F)(F)F)=O)C(C(N)=O)=NN1C2=C(Cl)C=C(C(F)(F)F)C=C2Cl
- EPAの化学物質情報
- 1 H-Pyrazole-3-carboxamide, · 1H-Pyrazole-3-carboxamide, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]- (205650-69-7)
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
Danger
H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P337+P317, P361+P364, P391, P403+P233, 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.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 3 (100%)
毒性情報
USGS Health-Based Screening Levels for Evaluating Water-Quality
Fipronil amide
68604
Pesticide degradation product
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
安全データ
- wgk
- WGK 3
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2STOT RE 1 Oral
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
Use Classification
Transformation products
Environmental transformation -> Pesticide transformation products (metabolite, successor)
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