메프로닐

Mepronil

HCID 41632CAS 55814-41-0

기본 정보

표준 SMILES: Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1
InChIKey: BCTQJXQXJVLSIG-UHFFFAOYSA-N
분자식: C17H19NO2
평균 분자량: 269.34 g/mol
단동위원소 질량: 269.14157885

개요

Mepronil is a member of the class of benzamides, obtained by formal condensation of the carboxy group of 2-methylbenzoic acid with the amino group of 3-(ispropyloxy)aniline. A fungicide used to control diseases caused by Basidomycetes including Rhizoctonia and Puccinia spp. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. It is a member of benzamides, an aromatic ether and a benzanilide fungicide.

이름 및 식별자

우선 이름: Mepronil
IUPAC: 2-methyl-N-(3-propan-2-yloxyphenyl)benzamide
현지명: 메프로닐
영어명: Mepronil
분자식: C17H19NO2
분자량: 269.34

이름 및 동의어

MEPRONIL55814-41-0Basitac3'-Isopropoxy-2-methylbenzanilideMepronil [ISO]3'-Isopropoxy-o-toluanilideMepronil (pesticide)2-Methyl-3'-isopropoxybenzanilideBenzamide, 2-methyl-N-(3-(1-methylethoxy)phenyl)-2-Methyl-N-(3-(1-methylethoxy)phenyl)benzamideKCO-1DTXSID1037565

이름 더 보기

메프로닐BI 2459MeproilBASITAC(R)Mepronil scBasitac(TM)MEPRONILSTANDARD

QJK1MXY8DWBRN 2381749B1-24592-methyl-N-[3-(propan-2-yloxy)phenyl]benzamideDTXCID9017565CHEBI:818232-Methyl-N-[3-(1-Methylethoxy)phenyl]benzamideBenzamide, 2-methyl-N-[3-(1-methylethoxy)phenyl]-

데이터베이스 식별자

CAS: 55814-41-0
PubChem CID: 41632
DTXSID: DTXSID1037565
ChEMBL: CHEMBL1615095
ChEBI: CHEBI:81823
UNII: QJK1MXY8DW
EC Number: 611-317-4
Nikkaji: J22.320D

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 20
형식 전하: 0
복잡도: 316

실험 및 물리화학적 성질

Pesticides · 4건

Fungicides

Active substance -> EU Pesticides database: Not approved

Fungicides

Pesticide (Mepronil) -> USDA PDB

LogP3.5

Collision Cross Section180.1 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1037565]

물리화학적 성질

녹는점: 84 · 84-89°C
끓는 점: 412.48 °C · 412.48°C (rough estimate)
밀도: 1.0483 · 1.0483 (rough estimate)
증기압: 5.6 x · 5.6 x 10-5 Pa (20 °C)
굴절률: 1.54 · 1.5400 (estimate)
저장 조건: 0 · 0-6°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(아주 적은 양으로 녹여라)
수용성: 12 mg · 12mg l-1(20°C)
산도 계수 (pKa): 13.1 · 13.10±0.70(Predicted)
색상: 하얀색
BRN: 2381749 · 2381749
Henry's Law Constant: 8.4 · 8.4×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
주요 응용: 농업환경
InChI: 1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)
InChIKey: BCTQJXQXJVLSIG-UHFFFAOYSA-N
SMILES: CC(C)Oc1cccc(NC(=O)c2ccccc2C)c1
NIST: Mepronil(55814-41-0)
EPA: Mepronil (55814-41-0)

안전 및 규제

GHS 분류

GHS Classification · 2건

Not Classified

유해성 정보

Regulatory Information2002/2076

Hazard Classes and CategoriesHazardous to the aquatic environment (Acute) - Category 2

안전 데이터

wgk: 2
rtecs: CV5581700
독성: LD50 oral in rabbit: > 10gm/kg
HS 번호: 29242990
기존화학 물질: KE-21668
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Use ClassificationFungicides

응용 분야

용도Mepronil is an benzanilide based fungicide found in the raw materials of herbal medicine.

상·하류 제품 정보

상류 원료

공급사49 곳

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

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

Syntechem Co.,Ltd[email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

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

추가 설명 · 1건

정의ChEBI: A member of the class of benzamides, obtained by formal condensation of the carboxy group of 2-methylbenzoic acid with the amino group of 3-(ispropyloxy)aniline. A fungicide used to control diseases caused by Basidomycetes including Rhizoctonia