Pencycuron (HCID 91692)

概要

Pencycuron is a member of the class of phenylureas that is urea which is substituted by p-chlorobenzyl and cyclopentyl groups at position 1 and a phenyl group at position 3. A fungicide used to control diseases caused by Rhizoctonia solani and Pellicularia spp. It is not highly toxic to mammals but is moderately toxic to birds, most aquatic organisms, honeybees and earthworms. It has a role as an antifungal agrochemical. It is a member of phenylureas and a member of monochlorobenzenes. It is functionally related to an aniline.

名称と識別子

優先名称: Pencycuron
IUPAC: 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
現地名: 1-(4-クロロベンジル)-1-シクロペンチル-3-フェニル尿素
英語名: Pencycuron
分子式: C19H21ClN2O
分子量: 328.84

名称と別名

Pencycuron66063-05-6Monceren1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylureaN-((4-Chlorophenyl)methyl)-N-cyclopentyl-N'-phenylureaDTXSID30422611-(p-Chlorobenzyl)-1-cyclopentyl-3-phenylureaGCH2G449HPMONCERAEN 250SCNTN-19701CHEBI:7957Urea, N-((4-chlorophenyl)methyl)-N-cyclopentyl-N'-phenyl-

名称をさらに表示

セレンターフ1-(p-クロロベンジル)-1-シクロペンチル-3-フェニル尿素ペンシクロンN-[(4-クロロフェニル)メチル]-N-シクロペンチル-N'-フェニル尿素1-(4-クロロベンジル)-1-シクロペンチル-3-フェニル尿素モンセレンペンシクロン標準品ペンシクロン標準液１（４クロロベンジル）１シクロペンチル３フェニル尿素CS_N-12488-100MG_ペンシクロンペンシクロン IN METHANOLペンシクロン, 100 µg/mL in MeOH3-[(4-クロロフェニル)メチル]-3-シクロペンチル-1-フェニル尿素N-[(4-クロロフェニル)メチル]-N-シクロペンチル-N′-フェニル尿素Trotisntn19701NTN 5201pencycurnPencycuroneMONCEREN (TM)BAY NTN 19701Pencycuron-D5

DTXCID10222611-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenyl-ureaUrea, N-[(4-chlorophenyl)methyl]-N-cyclopentyl-N'-phenyl-1-((4-chlorophenyl)methyl)-1-cyclopentyl-3-phenyl-ureaN-[(4-Chlorophenyl)methyl]-N-cyclopentyl-N'-phenylureaRefChem:170766266-096-3Caswell No. 638A

データベース識別子

CAS: 66063-05-6
PubChem CID: 91692
DTXSID: DTXSID3042261
ChEMBL: CHEMBL2229452
ChEBI: CHEBI:7957
UNII: GCH2G449HP
EC Number: 266-096-3
Nikkaji: J19.077B

物性

構造計算による物性

XLogP: 4.8
極性表面積: 32.3 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 23
形式電荷: 0
複雑度: 370

実験および物理化学的性質

Pesticides · 6 件

Pesticides

Fungicides

Active substance -> EU Pesticides database: Not approved

Environmental transformation -> Pesticides (parent, predecessor)

Fungicides

Pesticide

LogP4.7

Collision Cross Section · 2 件

180.2 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: Pesticides]

179.71 Å² [M+H]+ [CCS Type: TW]

物理化学的性質

融点: 130 · 130~135℃
沸点: 528.5 · 528.5±42.0 °C(Predicted)
比重(密度): 1.1257 · 1.1257 (rough estimate)
蒸気圧: 5 x · 5 x 10-10 Pa (20 °C)
屈折率: 1.579 · 1.5790 (estimate)
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: クロロホルム（わずかに）、メタノール（わずかに、超音波処理）
水溶解度: 0.3 mg · 0.3 mg l-1 (20 °C)
酸解離定数(Pka): 14.8 · 14.80±0.70(Predicted)
色: ホワイトからオフホワイト
BRN: 2154416 · 2154416
Henry's Law Constant: 2 · 2.0×106 mol/(m3Pa) at 25℃, Maniere et al. (2011)
主な用途: 農業環境
InChI: 1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)
InChIKey: OGYFATSSENRIKG-UHFFFAOYSA-N
SMILES: Clc1ccc(CN(C2CCCC2)C(=O)Nc3ccccc3)cc1
CAS データベース: 66063 · 66063-05-6(CAS DataBase Reference)
NISTの化学物質情報: Pencycuron(66063-05-6)
EPAの化学物質情報: Pencycuron (66063-05-6)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H400: 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)

This chemical does not meet GHS hazard criteria for 8.1% (3 of 37) of reports.

Warning

H400 (83.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

危険有害性情報

Regulatory Information · 4 件

Commission Regulation (EC) No 33/2008

Directive 91/414/EEC, Reg. (EU) 2018/1266, Reg. (EU) 2020/1643, Reg. (EU) 2022/801, Reg. (EU) No 540/2011

REACH registered substance: 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea (EC: 266-096-3)

Pencycuron: 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 · 3 件

Aquatic Acute 1 (83.8%)

Hazardous to the aquatic environment (acute) - category 1

Aquatic Acute 1

安全データ

wgk: 2
rtecs: YS6440000
ridadr: UN3002 (liquid phenylurea)
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 Classification · 2 件

Environmental transformation -> Pesticides (parent, predecessor)

Fungicides

応用分野 · 3 件

用途イネ紋枯病などリゾクトニア・ソラニに起因する各種病害の防除に特異的に効力を発揮する

使用Pencycuron is used for the control of diseases caused by Rhizoctonia solani and Pellicularia spp. in potatoes, rice (sheath blight), cotton, sugar beet, vegetables, ornamentals and turf. It can be applied to foliage or by incorporation into the soil.

一般的な説明Pencycuron is a non-systemic phenyl urea herbicide effective against pathogens such as Rhizoctonia solani and Pellicularia spp. Pencycuron acts by inhibiting cell division.

上流・下流製品情報

上流原料

Formyl chloride 4-クロロベンジルアミン塩化ベンジル -2-pentanone イソシアン酸フェニル塩化カルボニルシクロペンチルアミンシクロペンタノン

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

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

河南赢创生物科技有限公司16650615803 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]

補足説明 · 1 件

定義ChEBI: A member of the class of ureas carrying 4-chlorobenzyl and cyclopentyl substituents at position 1 and a phenyl substituent at position 3. A fungicide used to control diseases caused by Rhizoctonia solani and Pellicularia spp. It i not highly toxic to mammals but is moderately toxic to birds, most aquatic organisms, honeybees and earthworms.

1-(4-クロロベンジル)-1-シクロペンチル-3-フェニル尿素

基本情報

概要

名称と識別子

名称と別名

データベース識別子

物性

構造計算による物性

実験および物理化学的性質

物理化学的性質

安全と法規制

GHS分類

危険有害性情報

安全データ

化学と産業

用途と製造

上流・下流製品情報

上流原料

サプライヤー50 社

関連反応

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