피리미디펜

Pyrimidifen

HCID 6451139

기본 정보

CAS: 105779-78-0
표준 SMILES: CCOCCc1ccc(OCCNc2ncnc(CC)c2Cl)c(C)c1C
InChIKey: ITKAIUGKVKDENI-UHFFFAOYSA-N
분자식: C20H28ClN3O2
평균 분자량: 377.9 g/mol
단동위원소 질량: 377.18700482

개요

Pyrimidifen is an aminopyrimidine, a pyrimidinamine insecticide and a pyrimidinamine acaricide. It has a role as a mitochondrial NADH:ubiquinone reductase inhibitor.

이름 및 식별자

우선 이름: Pyrimidifen
IUPAC: 5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethylpyrimidin-4-amine
현지명: 피리미디펜
영어명: Pyrimidifen
분자식: C20H28ClN3O2
분자량: 377.91

이름 및 동의어

Pyrimidifen105779-78-0I21MX86B4X5-chloro-N-(2-(4-(2-ethoxyethyl)-2,3-dimethylphenoxy)ethyl)-6-ethyl-4-pyrimidinamine5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethylpyrimidin-4-amineDTXSID9057925CHEBI:386045-chloro-N-{2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl}-6-ethylpyrimidin-4-amine5-chloro-n-(2-(4-(2-ethoxyethyl)-2,3-dimethylphenoxy)ethyl)-6-ethylpyrimidin-4-amineRefChem:177751DTXCID4031693600-677-8

이름 더 보기

피리미디펜SU-9118-4-amineMITECLEANPyrimedifenPyrimidifen solutionPYRIMIDIFEN STANDARDpyrimidifen (bsi,iso)C16659300 PyrimidifenPyrimidifen Solution, 100ppm

Pyrimidifen [ISO:BSI]UNII-I21MX86B4XPYRIMIDIFEN [ISO]SCHEMBL84281SCHEMBL30179175MSK25074Pyrimidifen 10 |Ig/mL in AcetonitrilePyrimidifen 10 microg/mL in Acetonitrile

데이터베이스 식별자

CAS: 105779-78-0
PubChem CID: 6451139
DTXSID: DTXSID9057925
ChEBI: CHEBI:38604
UNII: I21MX86B4X
EC Number: 600-677-8
Nikkaji: J1.029.416I

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 56.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 10
무거운 원자 수: 26
형식 전하: 0
복잡도: 388

실험 및 물리화학적 성질

Pesticides · 2건

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Not approved

물리화학적 성질

녹는점: 157 · 157-161℃
끓는 점: 535.6 · 535.6±50.0 °C(Predicted)
밀도: 1.45 · 1.45
저장 조건: 0 · 0-6°C
산도 계수 (pKa): 4.09 · 4.09±0.10(Predicted)
BRN: 11644658 · 11644658
Henry's Law Constant: 3.6 · 3.6×104 mol/(m3Pa) at 25℃, Ebert et al. (2023)
주요 응용: 농업환경
InChI: 1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)
InChIKey: ITKAIUGKVKDENI-UHFFFAOYSA-N
SMILES: CCOCCc1ccc(OCCNc2ncnc(CC)c2Cl)c(C)c1C

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 2 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

Hazard Classes and Categories · 3건

Acute Tox. 3 (100%)

Acute toxicity (Oral) - Category 3

안전 데이터

wgk: 3
ridadr: UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
risk_code: 22-50/53
hazard_code: Xn,N
safety_code: 60-61
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도Pyrimidifen is used as pesticide.

공급사21 곳

奥夫仑医药（四川）有限公司17336178085 · [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

凯试(上海)科技有限公司021-50135380 · [email protected]

上海毕楷科技有限公司18516304666

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