フルアズロン

Fluazuron

HCID 65651CAS 86811-58-7

基本情報

標準SMILES: O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c1
InChIKey: YOWNVPAUWYHLQX-UHFFFAOYSA-N
分子式: C20H10Cl2F5N3O3
平均分子量: 506.2 g/mol
単同位体質量: 505.00193764

概要

Fluazuron is an N-acylurea that is urea in which one of the hydrogens has been replaced by a 3,6-difluorobenzoyl group, while a hydrogen attached to the other nitrogen has been replaced by a 4-chloro-3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl group. It is used to control ticks in cattle. It has a role as an acaricide and a mite growth regulator. It is a member of phenylureas, an aromatic ether, an organochlorine acaricide, an organofluorine acaricide, a chloropyridine, a N-acylurea and a member of monochlorobenzenes.

名称と識別子

優先名称: Fluazuron
IUPAC: N-[[4-chloro-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]-2,6-difluorobenzamide
現地名: フルアズロン
英語名: Fluazuron
分子式: C20H10Cl2F5N3O3
分子量: 506.21

名称と別名

Fluazuron86811-58-7FluazuronumAcatak pour-onDTXSID1046556VB0PV6I7L61-(4-Chloro-3-((3-chloro-5-(trifluoromethyl)-2-pyridyl)oxy)phenyl)-3-(2,6-difluorobenzoyl)ureaN-((4-chloro-3-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)carbamoyl)-2,6-difluorobenzamideDTXCID9026556CHEBI:39374N-[(4-chloro-3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)carbamoyl]-2,6-difluorobenzamideRefChem:140793

名称をさらに表示

フルアズロン標準品フルアズロン1-(4-クロロ-3-{[3-クロロ-5-(トリフルオロメチル)ピリジン-2-イル]オキシ}フェニル)-3-(2,6-ジフルオロベンゾイル)尿素N-[[[4-クロロ-3-[[3-クロロ-5-(トリフルオロメチル)-2-ピリジニル]オキシ]フェニル]アミノ]カルボニル]-2,6-ジフルオロベンズアミド1-[4-クロロ-3-[[3-クロロ-5-(トリフルオロメチル)-2-ピリジニル]オキシ]フェニル]-3-(2,6-ジフルオロベンゾイル)尿素FlupyradifuronFluazuron,NAFluazuron API4002 FLUAZURONFluazuron StandardC13672000 FluazuronFLUAZURON PESTANAL, 100 MGfluazuron (bsi, pa e-iso, inn)

Fluazuron [INN]N-[[4-chloro-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]-2,6-difluorobenzamideMFCD00864505AcatakFluazuron (INN)NCGC00166205-01N-(((4-Chloro-3-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)amino)carbonyl)-2,6-difluorobenzamideC20H10Cl2F5N3O3

データベース識別子

CAS: 86811-58-7
PubChem CID: 65651
DTXSID: DTXSID1046556
ChEMBL: CHEMBL1164608
ChEBI: CHEBI:39374
UNII: VB0PV6I7L6
EC Number: 635-515-5
Nikkaji: J561.811H

物性

構造計算による物性

XLogP: 6.1
極性表面積: 80.3 Å²
水素結合供与体数: 2
水素結合受容体数: 9
回転可能結合数: 4
重原子数: 33
形式電荷: 0
複雑度: 694

実験および物理化学的性質

LogP5.1

物理化学的性質

融点: 217 · 217-2190C
比重(密度): 1.579 · 1.579±0.06 g/cm3(Predicted)
蒸気圧: 1.2 x · 1.2 x l0-7 mPa (20 °C)
闪点: 200 °C · >200 °C
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml
酸解離定数(Pka): 8.61 · 8.61±0.46(Predicted)
水溶解度: 0.02 mg · ＜0.02 mg l-1(20 °C)
Henry's Law Constant: 2.3 · 2.3×1010 mol/(m3Pa) at 25℃, MacBean (2012)
主な用途: 農業環境
InChI: 1S/C20H10Cl2F5N3O3/c21-11-5-4-10(29-19(32)30-17(31)16-13(23)2-1-3-14(16)24)7-15(11)33-18-12(22)6-9(8-28-18)20(25,26)27/h1-8H,(H2,29,30,31,32)
InChIKey: YOWNVPAUWYHLQX-UHFFFAOYSA-N
SMILES: Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)c(Oc3ncc(cc3Cl)C(F)(F)F)c2
CAS データベース: 86811 · 86811-58-7(CAS DataBase Reference)

化学的性質

化学的特性White Powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAquatic Acute 1 (100%)

安全データ

wgk: 2
ridadr: 3077
risk_code: 50/53
hazard_code: N
safety_code: 60-61
hazard_class: 9
packing_group: III
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

Use ClassificationVeterinary Drug -> INSECTICIDE -> JECFA Functional Classes

応用分野

用途残留農薬試験におけるフルアズロン標準品。

使用Fluazuron is used for the strategic control of the cattle tick Boaphilus microplus on beef cattle.

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]