CAS 77732-09-3 Oxadixyl (HCID 53735)

概要

Oxadixyl is an oxazolidinone that is N-(2,6-dimethylphenyl)-2-methoxyacetamide in which the amide hydrogen is replaced by a 2-oxo-1,3-oxazolidin-3-yl group. A systemic fungicide used to treat seeds of a variety of food crops, as well as lawns. It has a role as an agrochemical. It is an ether, a carbohydrazide, an oxazolidinone, an aromatic amide and an anilide fungicide.

名称と識別子

優先名称: Oxadixyl
IUPAC: N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)acetamide
現地名: N-(2,6-ジメチルフェニル)-2-メトキシ-N-(2-オキソオキサゾリジン-3-イル)アセトアミド
英語名: Oxadixyl
分子式: C14H18N2O4
分子量: 278.3

名称と別名

OXADIXYL77732-09-3SandofanRecoilRipostWakilSAN 371FSAN 371M 10797DTXSID2032631N-(2,6-Dimethylphenyl)-2-methoxy-N-(2-oxo-3-oxazolidinyl)acetamideSAN-371F

名称をさらに表示

オキサジキシルN-(2,6-ジメチルフェニル)-2-メトキシ-N-(2-オキソオキサゾリジン-3-イル)アセトアミドサンドファンN-(2-オキソオキサゾリジン-3-イル)-N-(2,6-ジメチルフェニル)-2-メトキシアセトアミド2-メトキシ-2',6'-ジメチル-N-(2-オキソ-1,3-オキサゾリジン-3-イル)アセトアニリド２－メトキシ－Ｎ－（２－オキソ－１，３－オキサゾリジン－３－イル）アセト－２´，６´－キシリジドオキサジキシル標準品２メトキシＮ（２オキソ１，３オキサゾリジン３イル）アセト２，６キシリジドCS_N-12732-100MG_オキサジキシルオキサジキシル標準液 (100ΜG/MLメタノール溶液)2-メトキシ-2′,6′-ジメチル-N-(2-オキソ-1,3-オキサゾリジン-3-イル)アセトアニリドN-(2,6-ジメチルフェニル)-2-メトキシ-N-(2-オキソ-1,3-オキサゾリジン-3-イル)アセトアミド反跳ANCHORmetoxazonm10797san371san371fASN 371-F

2-Methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)acet-2',6'-xylidide236CMA8A122-Methoxy-N-(2-oxo-1,3-oxazolidine-3-yl)-acet-2,6-xylidineDTXCID0012631CHEBI:81937RefChem:1687802-methoxy-N-(2,6-dimethylphenyl)-N-(2-oxo-3-oxazolidinyl)acetamideN-(2,6-DIMETHYLPHENYL)-2-METHOXY-N-(2-OXOOXAZOLIDIN-3-YL)ACETAMIDE

データベース識別子

CAS: 77732-09-3
PubChem CID: 53735
DTXSID: DTXSID2032631
ChEMBL: CHEMBL1864998
ChEBI: CHEBI:81937
UNII: 236CMA8A12
EC Number: 616-492-0
Nikkaji: J364.556H

物性

構造計算による物性

XLogP: 1.8
極性表面積: 59.1 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 20
形式電荷: 0
複雑度: 364

実験および物理化学的性質

Pesticides · 5 件

Fungicides

Active substance -> EU Pesticides database: Not approved

Pesticides -> Fungicides

Fungicides

Pesticide (Oxadixyl) -> USDA PDB

LogP0.73

Vapor Pressure0.00000002 [mmHg]

Physical DescriptionColorless solid; [Merck Index] Colorless crystalline solid; [Dr. Ehrenstorfer GmbH MSDS]

Collision Cross Section · 3 件

167.1 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2032631]

156.19 Å² [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]

158.81 Å² [M+H]+

物理化学的性質

融点: 104 · 104-105 °C
沸点: 421.12 °C · 421.12°C (rough estimate)
比重(密度): 1.1674 · 1.1674 (rough estimate)
屈折率: 1.55 · 1.5500 (estimate)
闪点: 100 °C · >100 °C
貯蔵温度: 0 · 0-6°C
酸解離定数(Pka): 1.16 · 1.16±0.20(Predicted)
水溶解度: 25 ℃で3.4mg/L · 25℃で3.4mg/L
Merck: 13 · 13,6976
BRN: 7098783 · 7098783
Henry's Law Constant: 2 · 2.0×106 mol/(m3Pa) at 25℃, Ebert et al. (2023)
主な用途: 農業環境
InChI: 1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3
InChIKey: UWVQIROCRJWDKL-UHFFFAOYSA-N
SMILES: COCC(=O)N(N1CCOC1=O)c2c(C)cccc2C
LogP: 0.8 · 0.800
CAS データベース: 77732 · 77732-09-3(CAS DataBase Reference)
NISTの化学物質情報: 2 · Acetamide, n-(2,6-dimethylphenyl)-2-methoxy-n-(2-oxo-3-oxazolidinyl)-(77732-09-3)
EPAの化学物質情報: Oxadixyl (77732-09-3)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

2002/2076

Oxadixyl: 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.

Other Safety InformationIMAP assessments - Acetamide, N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-3-oxazolidinyl)-: Environment tier I assessment

Hazards Summary · 1 件

Causes changes in liver weight, other liver changes, and weight loss in 2-year oral study of rats; [RTECS] Harmful by ingestion, inhalation, and skin absorption; Vapors and/or dust can cause eye injury on repeated exposure; [Dr. Ehrenstorfer GmbH MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
rtecs: AB8131400
毒性: LD50 in female rats (mg/kg): 1860 orally; >2000 dermally (Gisi)
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

Uses · 3 件

An oxizolidinone systemic fungicide; [Merck Index] Used as systemic fungicide for seed treatment of various food crops; Also used on vetch (flowering plants in the legume family), golf courses, and residential lawns; [Reference #1]

Registration for use in the US voluntarily cancelled in 2001; Registrants requested cancellation due to a drop in demand; [Reference #1]

Farming (Pesticides) [Category: Industry]

Use ClassificationFungicides

応用分野

解説一つの粒子から内部的作用によって電磁波または粒子が放出されたとき，またはその粒子に他の粒子が衝突したとき，運動量保存の法則に従ってその粒子が跳ねとばされる現象．このとき，その粒子を反跳粒子(反跳核，反跳電子など)という．

使用Oxadixyl is a pesticide residue used for the detection of pesticides in vegetation.

上流・下流製品情報

上流原料

メトキシアセチルクロリドプロピオナート ESTRONE(RG)2,6-ジメチルフェニルヒドラジン 2,6-ジメチルアニリンオキサゾール

サプライヤー47 社

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Qingdao Trust Agri Chemical Co.,Ltd+86-008615963231493 +86-008613573296305 · [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

上海毕楷科技有限公司18516304666

補足説明

定義ChEBI: An oxazolidinone that is N-(2,6-dimethylphenyl)-2-methoxyacetamide in which the amide hydrogen is replaced by a 2-oxo-1,3-oxazolidin-3-yl group. A systemic fungicide used to treat seeds of a variety of food crops, as well as lawns.