Proquinazid (HCID 11057771)

概要

Proquinazid is a member of the class of quinazolines that is quinazolin-4-one substituted at positions 2, 3 and 6 by propoxy, propyl and iodo groups respectively. A fungicide with the potential to control powdery mildew in a range of crops including cereals and grapes. It has a role as an antifungal agrochemical. It is an aromatic ether, an organoiodine compound and a member of quinazolines.

名称と識別子

優先名称: Proquinazid
IUPAC: 6-iodo-2-propoxy-3-propylquinazolin-4-one
現地名: プロキナジド
英語名: Proquinazid
分子式: C14H17IN2O2
分子量: 372.2

名称と別名

Proquinazid189278-12-46-iodo-2-propoxy-3-propylquinazolin-4(3H)-one6-iodo-2-propoxy-3-propyl-4(3H)-quinazolinoneLIH67H4H0ZDTXSID1058008CHEBI:83555RefChem:176570DTXCID4031776606-168-7Proquinazid [ISO]UNII-LIH67H4H0Z

名称をさらに表示

プロキナジドdpx-kq926Proquinazid SolutionProquinazid in AcetonitrileProquinazid 100 μg/ml AcetonitrileProquinazid 10 μg/mL in CyclohexaneProquinazid@100 μg/mL in AcetonitrileL16542000CY Proquinazid 10μg/mLin Cyclohexane4(3H)-Quinazolinone, 6-iodo-2-propoxy-3-propyl-

6-iodo-2-propoxy-3-propylquinazolin-4-one6-Iodo-2-propoxy-3-propyl-4(3H)-quinazolinone; Talius6-?Iodo-?2-?propoxy-?3-?propylquinazolin-?4(3H)?-?oneMFCD11616763PROQUINAZID [MI]SCHEMBL21925orb3210896MSK21137

データベース識別子

CAS: 189278-12-4
PubChem CID: 11057771
DTXSID: DTXSID1058008
ChEBI: CHEBI:83555
UNII: LIH67H4H0Z
EC Number: 606-168-7
Nikkaji: J2.417.039J

物性

構造計算による物性

XLogP: 3.7
極性表面積: 41.9 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: 5
重原子数: 19
形式電荷: 0
複雑度: 359

実験および物理化学的性質

Pesticides · 5 件

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Approved

Environmental transformation -> Pesticides (parent, predecessor)

Fungicides

Pesticide (Proquinazid) -> USDA PDB

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section169.35 Å² [M+H]+ [CCS Type: TW]

物理化学的性質

貯蔵温度: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
溶解性: DMSO（微量、加熱）、メタノール（微量）
色: ホワイトからオフホワイト
Henry's Law Constant: 3.3 · 3.3×101 mol/(m3Pa) at 25℃, Maniere et al. (2011)
主な用途: 農業環境
InChI: 1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey: FLVBXVXXXMLMOX-UHFFFAOYSA-N
SMILES: CCCOC1=Nc2ccc(I)cc2C(=O)N1CCC
EPAの化学物質情報: 4 · 4(3H)-Quinazolinone, 6-iodo-2-propoxy-3-propyl- (189278-12-4)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H351: Suspected of causing cancer [Warning Carcinogenicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Warning

H351 (69.8%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 3 件

Regulation (EC) No 396/2005 (amended)

Proquinazid is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

2010/25/EU, Reg. (EU) 2017/2069, Reg. (EU) 2022/708, Reg. (EU) 2023/918, Reg. (EU) 2026/372 , Reg. (EU) No 540/2011

Hazard Classes and Categories · 3 件

Carc. 2 (69.8%)

Carcinogenicity - category 2

Carc. 2

毒性情報

RAIS Toxicity Values · 4 件

0.05

OPP

0.004

OPP

EPA Human Health Benchmarks for Pesticides · 6 件

Proquinazid

0.05

300

Children

0.004

20

安全データ

wgk: 3
ridadr: UN 3077 9 / PGIII
risk_code: 50/53
hazard_code: N
safety_code: 60-61
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Carc. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

Use Classification · 2 件

Fungicides

Environmental transformation -> Pesticides (parent, predecessor)

応用分野

使用6-Iodo-2-propoxy-3-propylquinazolin-4(3H)-one is a fungicidal agent. Pesticide.

一般的な説明Proquinazid belongs to the quinazolinone class of fungicides.

サプライヤー17 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

Syntechem Co.,Ltd[email protected]

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

上海艾梯西生物科技有限公司18721763493

補足説明 · 1 件

定義ChEBI: A member of the class of quinazolines that is quinazolin-4-one substituted at positions 2, 3 and 6 by propoxy, propyl and iodo groups respectively. A fungicide with the potential to control powdery mildew in a range of crops including cereals and grapes.

プロキナジド

基本情報

概要