CAS 67306-00-7 Fenpropidin (HCID 91694)

概要

1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine is a member of the class of piperidines that is N-isobutylpiperidine in which a hydrogen of one of the methyl groups is replaced by a p-tert-butylphenyl group. It is a member of piperidines and a tertiary amine.

名称と識別子

優先名称: Fenpropidin
IUPAC: 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine
現地名: 1-[2-メチル-3-(4-tert-ブチルフェニル)プロピル]ピペリジン
英語名: Fenpropidin
分子式: C19H31N
分子量: 273.46

名称と別名

Fenpropidin67306-00-7PatrolFenpropidine1-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)piperidineRo 12-3049DTXSID9058157845XW54F31Piperidine, 1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]piperidinePiperidine, 1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-1-(2-((4-tert-butylphenyl)methyl)propyl)piperidine

名称をさらに表示

1-[3-(4-tert-ブチルフェニル)-2-メチルプロピル]ピペリジン1-[2-メチル-3-(4-tert-ブチルフェニル)プロピル]ピペリジンフェンプロピジンフェンプロピジン標準品TERNSPONSORCOLUMBIAro12-3049cga114900FenproidinBrn 1245248

1-{2-[(4-tert-butylphenyl)methyl]propyl}piperidineRefChem:140199DTXCID5031925CHEBI:819171-(2-methyl-3-(4-(2-methyl-2-propanyl)phenyl)propyl)piperidine1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine1-(3-(4-tert-Butylphenyl)-2-methylpropyl)piperidine1-(3-(4-(tert-butyl)phenyl)-2-methylpropyl)piperidine

データベース識別子

CAS: 67306-00-7
PubChem CID: 91694
DTXSID: DTXSID9058157
ChEMBL: CHEMBL1889041
ChEBI: CHEBI:83291
UNII: 845XW54F31
EC Number: 614-049-6
Nikkaji: J18.832H

物性

構造計算による物性

XLogP: 5.5
極性表面積: 3.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 5
重原子数: 20
形式電荷: 0
複雑度: 264

実験および物理化学的性質

Pesticides · 5 件

Fungicides

Active substance -> EU Pesticides database: Approved

Environmental transformation -> Pesticides (parent, predecessor)

Fungicides

Pesticide (Fenpropidin) -> USDA PDB

Human DrugsPharmaceuticals

Collision Cross Section166.39 Å² [M+H]+ [CCS Type: TW]

物理化学的性質

融点: 25 °C · 25°C
沸点: 0.2 · bp0.2 117°; bp0.045 125°; bp0.032 104°
比重(密度): 0.9112 · 0.9112 (rough estimate)
蒸気圧: 1.7 x · 1.7 x 10-2 Pa (25 °C)
屈折率: 1.49 · 1.4900 (estimate)
貯蔵温度: Refrigerator
溶解性: クロロホルム、酢酸エチル（微量）
外見: Liquid
酸解離定数(Pka): 10.1 · 10.1
水溶解度: 530 mg · 530 mg l-1 (25 °C で pH 7)
色: 無色透明
Merck: 13 · 13,4020
BRN: 5336091 · 5336091
Henry's Law Constant: 7.1 · 7.1×102 mol/(m3Pa) at 25℃, Feigenbrugel and Calvé (2021)
主な用途: 農業環境
InChI: 1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
InChIKey: MGNFYQILYYYUBS-UHFFFAOYSA-N
SMILES: CC(CN1CCCCC1)Cc2ccc(cc2)C(C)(C)C
CAS データベース: 67306 · 67306-00-7
NISTの化学物質情報: Fenpropidin(67306-00-7)
EPAの化学物質情報: 1 · Piperidine, 1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]- (67306-00-7)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H302+H332 (26.6%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Commission Regulation (EC) No 1490/2002

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

2008/66, Reg. (EU) 2018/1796, Reg. (EU) 2019/1589, Reg. (EU) 2020/1511, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) No 540/2011

Fenpropidin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

Repr. 2

毒性情報

RAIS Toxicity Values · 4 件

0.07

OPP

0.023

OPP

EPA Human Health Benchmarks for Pesticides · 6 件

Fenpropidin

0.07

500

Children

0.023

140

安全データ

wgk: 3
rtecs: TM7292000
ridadr: 2902
hs_code: 29333990
risk_code: 21/22-36
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 26-36/37
hazard_class: 6.1(b)
packing_group: III
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Sens. 1BSTOT RE 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

MeSH Pharmacological ClassificationChemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.

用途と製造

Use Classification · 3 件

Environmental transformation -> Pesticides (parent, predecessor)

Fungicides

Pharmaceuticals

応用分野 · 3 件

用途Δ14-レダクターゼ・Δ8→Δ7イソメラーゼ阻害剤

説明fenpropidine, a piperidine derivative, and spiroxamine, a dioxolanemethyleneamine derivative introduced in 1996 , belong to the same group of fungicides.

使用Fenpropidin is both a contact and a systemic fungicide which provides effective eradicant control of powdery mildew, rusts and leaf blotch in cereal.

サプライヤー52 社

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

補足説明

定義ChEBI: A member of the class of piperidines that is N-isobutylpiperidine in which a hydrogen of one of the methyl groups is replaced by a p-tert-butylphenyl group.