2,3-ジクロロ-N-(4-フルオロフェニル)マレインイミド

Fluoroimide

HCID 93228CAS 41205-21-4

基本情報

標準SMILES: O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(F)cc1
InChIKey: IPENDKRRWFURRE-UHFFFAOYSA-N
分子式: C10H4Cl2FNO2
平均分子量: 260.04 g/mol
単同位体質量: 258.96031195

概要

Fluoroimide is a maleimide that is substituted at positions 3 and 4 by chlorines and on the nitrogen by a p-fluorophenyl group. Previously used as a fungicide (now obsolete). It has a role as an antifungal agrochemical. It is an organochlorine pesticide, an organofluorine pesticide, a member of maleimides, a member of monofluorobenzenes and a dicarboximide fungicide.

名称と識別子

優先名称: Fluoroimide
IUPAC: 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione
現地名: 2,3-ジクロロ-N-(4-フルオロフェニル)マレインイミド
英語名: Fluoroimide
分子式: C10H4Cl2FNO2
分子量: 260.05

名称と別名

Fluoroimide41205-21-43,4-Dichloro-1-(4-fluorophenyl)-1H-pyrrole-2,5-dioneFluoromideSpartcideSparticide2,3-Dichloro-N-4-fluorophenylmaleimideMK 23N-p-Fluorophenyl-2,3-dichloromaleimideUNII-2RA6KRO7U92RA6KRO7U91H-Pyrrole-2,5-dione, 3,4-dichloro-1-(4-fluorophenyl)-

名称をさらに表示

スパルチサイドN-(4'-フルオロフェニル)-2,3-ジクロロマレイミドスパルチシド3,4-ジクロロ-1-(4-フルオロフェニル)-1H-ピロール-2,5-ジオンフルオルイミドフルオロミド2,3-ジクロロ-N-(4-フルオロフェニル)マレインイミドスパトシドスパットサイドN-(4-フルオロフェニル)-2,3-ジクロロマレインイミド２，３－ジクロロ－Ｎ－（４－フルオロフェニル）マレイミドフルオルイミド標準品２，３ジクロロＮ（４フルオロフェニル）マレイミドフルオロイミド3,4-ジクロロ-1-(4-フルオロフェニル)-2,5-ジヒドロ-1H-ピロール-2,5-ジオンN-(4′-フルオロフェニル)-2,3-ジクロロマレイミドストライド1-(4-フルオロフェニル)-3,4-ジクロロ-1H-ピロール-2,5-ジオンmk23SpatcideNSC 622384fluoroimide (jmaf)FLUOROIMIDE STANDARDOTAVA-BB BB7014250005

BRN 1534427DTXSID7058092CHEBI:818263,4-dichloro-1-(4-fluorophenyl)-1N-pyrrole-2,5-dioneRefChem:140946DTXCID3031860609-898-4IPENDKRRWFURRE-UHFFFAOYSA-N

データベース識別子

CAS: 41205-21-4
PubChem CID: 93228
DTXSID: DTXSID7058092
ChEMBL: CHEMBL1989810
ChEBI: CHEBI:81826
UNII: 2RA6KRO7U9
EC Number: 609-898-4
Nikkaji: J1.893G

物性

構造計算による物性

XLogP: 2.8
極性表面積: 37.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 351

実験および物理化学的性質

LogP2.3

物理化学的性質

融点: 238 · 238~242℃
沸点: 324.7 · 324.7±42.0 °C(Predicted)
比重(密度): 1.63 · 1.63±0.1 g/cm3(Predicted)
蒸気圧: 3.4 x · 3.4 x 10-3 Pa (25 °C)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: DMSO (Sparingly), Methanol (Slightly)
外見: Solid
水溶解度: 5.9 mg · 5.9 mg l-1 (20 °C)
酸解離定数(Pka): -4.79 · -4.79±0.60(Predicted)
色: Off-White to Light Yellow
Henry's Law Constant: 7.7 · 7.7×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023)

化学的性質

化学的特性yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264+P265, P271, P273, P280, P304+P340, P305+P354+P338, P316, P317, P321, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

危険有害性情報

Hazard Classes and Categories · 2 件

Eye Dam. 1 (100%)

Acute toxicity (Inhalation: Dusts and mists) - Category 3

安全データ

ridadr: UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
risk_code: 23-41-51/53
化審法: 一般化学物質
hazard_code: T,N
safety_code: 26-39-45-61

化学と産業

応用分野 · 1 件

使用Fluoroimide is used to control Monilinia mali and Mycosphaerella pomi in apples, Diaporthe citri and Elsinoe fawcetti in citrus, Corticium spp. in rubber trees, Botryfis cinerea and Peronospora destructor in onions, Colletotrichum theae-sinensis and Exobasidium vexans in tea, Phytophthora infestans in potatoes at 2-5 kg a.i. ha-1 and Cercospora kaki and Mycosphaerella mwae in persimmons at 0.5-2 kg ha-1.

サプライヤー30 社

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

補足説明

定義ChEBI: A maleimide that is substituted at positions 3 and 4 by chlorines and on the nitrogen by a p-fluorophenyl group. Previously used as a fungicide (now obsolete).