CAS 129558-76-5 Tolfenpyrad (HCID 10110536)

개요

Tolfenpyrad is an aromatic amide obtained by formal condensation of the carboxy group of 4-chloro-3-ethyl-1-methylpyrazole-5-carboxylic acid with the amino group of 1-[4-(4-methylphenoxy)phenyl]methylamine. It has a role as an agrochemical, an antifungal agent, a mitochondrial NADH:ubiquinone reductase inhibitor and an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. It is a pyrazole insecticide, an aromatic ether, an organochlorine compound and an aromatic amide.

이름 및 식별자

우선 이름: Tolfenpyrad
IUPAC: 4-chloro-3-ethyl-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide
현지명: 톨페티라드
영어명: TOLFENPYRAD
분자식: C21H22ClN3O2
분자량: 383.87

이름 및 동의어

tolfenpyrad129558-76-5OHA74571QT4-chloro-3-ethyl-1-methyl-N-(4-(p-tolyloxy)benzyl)pyrazole-5-carboxamideDTXSID6057952CHEBI:386284-chloro-3-ethyl-1-methyl-N-((4-(4-methylphenoxy)phenyl)methyl)-1H-pyrazole-5-carboxamide4-CHLORO-3-ETHYL-1-METHYL-N-[4-(P-TOLYLOXY)BENZYL]PYRAZOLE-5-CARBOXAMIDE4-chloro-3-ethyl-1-methyl-N-[4-(4-methylphenoxy)benzyl]-1H-pyrazole-5-carboxamide4-Chloro-3-ethyl-1-methyl-N-{[4-(4-methylphenoxy)phenyl]methyl}-1H-pyrazole-5-carboxamide4-chloro-3-ethyl-1-methyl-N-(4-(4-methylphenoxy)benzyl)-1H-pyrazole-5-carboxamideRefChem:190289

이름 더 보기

4-클로로-3-에틸-1-메틸-N-[4-(p-꾸밈음옥시)벤질]피라조르-5-카르보키사미드톨페티라드4-클로로-3-에틸-1-메틸-N-[4-(p-꾸밈음옥시)벤질]피라조르-5-카르보키사미드omi-88HATI-HATIolfenpyra2-ethanediolTolfenapyradTOLFENPYRAD STANDARDC17591500 Tolfenpyradtolfenpyrad (bsi, pa iso)

DTXCID4031720603-342-4Tolfenpyrad [ISO]MFCD082738504-chloro-5-ethyl-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamideMMV6889344-chloro-3-ethyl-1-methyl-N-(4-(p-tolyloxy)benzyl)-1H-pyrazole-5-carboxamide4-Chloro-3-ethyl-1-methyl-N-(4-(p-tolyloxy)-benzyl)-1H-pyrazole-5-carboxamide

데이터베이스 식별자

CAS: 129558-76-5
PubChem CID: 10110536
DTXSID: DTXSID6057952
ChEMBL: CHEMBL2229099
ChEBI: CHEBI:38628
UNII: OHA74571QT
EC Number: 603-342-4
Nikkaji: J1.215.839D

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 56.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 27
형식 전하: 0
복잡도: 476

실험 및 물리화학적 성질

Pesticides · 3건

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Not approved

Pesticide (Tolfenpyrad) -> USDA PDB

물리화학적 성질

녹는점: 87 · 87~89℃
끓는 점: 540 · 540.0±50.0 °C(Predicted)
밀도: 1.21 · 1.21±0.1 g/cm3(Predicted)
저장 조건: 0 · 0-6°C
용해도: 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
산도 계수 (pKa): 13.11 · 13.11±0.46(Predicted)
물리적 상태: Solid
색상: White to off-white
BRN: 13666608 · 13666608
InChI: InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)
InChIKey: WPALTCMYPARVNV-UHFFFAOYSA-N
SMILES: N1(C)C(C(NCC2=CC=C(OC3=CC=C(C)C=C3)C=C2)=O)=C(Cl)C(CC)=N1
EPA: 1 H-Pyrazole-5-carboxamide, · 1H-Pyrazole-5-carboxamide, 4-chloro-3-ethyl-1-methyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]- (129558-76-5)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302+H332 (78.8%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P260, P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P319, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 85 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

유해성 정보

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

Hazard Classes and Categories · 3건

Acute Tox. 4 (97.6%)

Acute toxicity (Oral) - Category 3

독성 정보

RAIS Toxicity Values · 4건

0.1

OPP

0.006

OPP

EPA Human Health Benchmarks for Pesticides · 6건

Tolfenpyrad

0.1

700

Children

0.006

40

안전 데이터

wgk: 3
ridadr: UN 3077 9 / PGIII
risk_code: 20/22-50/53
hazard_code: Xn,N
safety_code: 60-61
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Tolfenpyrad

공급사100 곳

湖北博杰生物科技有限公司0713-2060728 15629612610

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

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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

추가 설명

정의ChEBI: An aromatic amide obtained by formal condensation of the carboxy group of 4-chloro-3-ethyl-1-methylpyrazole-5-carboxylic acid with the amino group of 1-[4-(4-methylphenoxy)phenyl]methylamine.