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1-(2-クロロベンゾイル)-3-(4-トリフルオロメトキシフェニル)尿素
トリフルロン · 1-(2-クロロベンゾイル)-3-(4-トリフルオロメトキシフェニル)尿素 · アルシスチン · トリフルムロン · フルカルベンズロン · トリフルムロン標準品 · トリフルムロン STANDARD · トリフルムロン Standard, 100 µg/mL in Methanol
識別子と物理属性
| CAS No. | 64628-44-0 |
|---|---|
| 分子式 | C15H10ClF3N2O3 |
| 平均分子量 | 358.7 g/mol |
| 単同位体質量 | 358.0332044 g/mol |
| SMILES | O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1 |
| InChIKey | XAIPTRIXGHTTNT-UHFFFAOYSA-N |
| PubChem CID | 47445 |
| ChEMBL | CHEMBL1394379 |
| ChEBI | CHEBI:39388 |
| EC No. | 264-980-3 |
| DTXSID | DTXSID5034355 |
| 現地名 | 1-(2-クロロベンゾイル)-3-(4-トリフルオロメトキシフェニル)尿素 |
化学・物理的性質
| XLogP | 5.6 |
|---|---|
| 極性表面積 | 67.4 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 3 |
| 重原子数 | 24 |
| 形式電荷 | 0 |
| 複雑度 | 454 |
| Collision Cross Section | 179.1 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5034355]186.6 Ų [M+Na]+ [CCS Type: DTIonization: ESI+169.88 Ų [M+H]+ [CCS Type: TW] |
| 融点 | 198℃ |
| 密度 | 1.475±0.06 g/cm3(Predicted) |
| 蒸気圧 | 0Pa at 20℃ |
| 貯蔵条件 | 0-6°C |
| 溶解度 | DMFに可溶40μg/L at 20℃ |
| pKa（酸解離定数） | 9.79±0.46(Predicted) |
| 外観・状態 | Solid |
| 色 | White to off-white |
| BRN | 2776684 |
| ヘンリー定数 | 1.1×103 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| 主な用途 | 農業環境 |
| InChI | 1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23) |
| InChIKey | XAIPTRIXGHTTNT-UHFFFAOYSA-N |
| SMILES | FC(F)(F)Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1 |
| LogP（分配係数） | 4.68 at 25℃ |
| CAS データベース | 64628-44-0(CAS DataBase Reference) |
| EPAの化学物質情報 | Triflumuron (64628-44-0) |
化学的特性
White Solid
安全性と法規制
| GHS 分類 | DangerH330 (56.5%): Fatal if inhaled [Danger Acute toxicity, inhalation]H400 (43.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (43.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P260, P271, P273, P284, P304+P340, P316, P320, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 69 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Commission Regulation (EC) No 33/20082011/23/EU, Reg. (EU) 2022/801, Reg. (EU) No 540/2011Status: Active Update: 09-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33074Triflumuron: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - Benzamide, 2-chloro-N-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]-: Environment tier I assessmentIMAP assessments - Benzamide, 2-chloro-N-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]-: Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 2 (56.5%)Aquatic Acute 1 (43.5%)Aquatic Chronic 1 (43.5%) |
| 水環境危害等級（WGK） | 2 |
| RTECS 番号 | CV2474000 |
| 毒性 | LD50 in rats, mice (mg/kg): >5000, >5000 i.p., s.c., orally (Zoebelein) |
| 安全措置（S） | 22-24/25 |
| 危険等級 | Acute Tox. 2 Inhalation |
| 貯蔵分類 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
用途
説明
Triflumuron, a benzoylphenyl urea compound, is an insect development inhibitor that inhibits the synthesis of chitin. It is formulated as an off-shears pour-on lousicide for control of the sheep body louse Bovicola ovis.
使用
Triflumuron is a benzoylphenylurea insecticide. Triflumuron is a chitin synthesis inhibitor used to control insects pests such as mosquitos and flies.