CAS 77732-09-3 Oxadixyl (HCID 53735)

개요

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.

이름 및 식별자

우선 이름: Oxadixyl
IUPAC: N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)acetamide
영어명: Oxadixyl
분자식: C14H18N2O4
분자량: 278.3

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 59.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 364

실험 및 물리화학적 성질

Pesticides · 5건

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 · 3건

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]+

물리화학적 성질

녹는점: 104 · 104-105 °C
끓는 점: 421.12 °C · 421.12°C (rough estimate)
밀도: 1.1674 · 1.1674 (rough estimate)
굴절률: 1.55 · 1.5500 (estimate)
인화점: 100 °C · >100 °C
저장 조건: 0 · 0-6°C
산도 계수 (pKa): 1.16 · 1.16±0.20(Predicted)
수용성: 25 · 25&C에서 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)
주요 응용: 농업환경
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
NIST: 2 · Acetamide, n-(2,6-dimethylphenyl)-2-methoxy-n-(2-oxo-3-oxazolidinyl)-(77732-09-3)
EPA: Oxadixyl (77732-09-3)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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 · 1건

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%)

안전 데이터

wgk: 3
rtecs: AB8131400
독성: LD50 in female rats (mg/kg): 1860 orally; >2000 dermally (Gisi)
risk_code: 22
hazard_code: Xn
기존화학 물질: KE-11784
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Uses · 3건

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

응용 분야

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

상·하류 제품 정보

상류 원료

Methoxyacetyl chloride (2-METHYL-1H-INDOL-3-YL)-옥소-아세트산에틸에스테르 ESTRONE(RG)2-디메틸페닐히드라진 2,6-다이메틸아닐린 Oxazole

공급사47 곳

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

추가 설명

정의ChEBI: 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.