Dimethirimol

HCID 135424353CAS 5221-53-4

기본 정보

표준 SMILES: CCCCc1c(C)nc(N(C)C)[nH]c1=O
InChIKey: CJHXCRMKMMBYJQ-UHFFFAOYSA-N
분자식: C11H19N3O
평균 분자량: 209.29 g/mol
단동위원소 질량: 209.15281223

개요

Dimethirimol is a member of the class of aminopyrimidines that is 2-dimethylaminopyrimidine carrying methyl, butyl and hydroxy substituents at posiitons 4, 5 and 6 respectively. A fungicide first marketed in 1970, and used particularly in glasshouses to control powdery mildew, it is no longer approved for use within the European Union. It has a role as an antifungal agrochemical. It is an aminopyrimidine, a hydroxypyrimidine, a tertiary amino compound and a pyrimidine fungicide.

이름 및 식별자

우선 이름: Dimethirimol
IUPAC: 5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one
영어명: DIMETHIRIMOL
분자식: C11H19N3O
분자량: 209.29

이름 및 동의어

DIMETHIRIMOL5221-53-4MilcurbDimethyrimolMelkeb5-Butyl-2-(dimethylamino)-6-methyl-4(1H)-pyrimidinone5-Butyl-2-(dimethylamino)-6-methyl-4-pyrimidinol5-Butyl-2-dimethylamino-4-hydroxy-6-methylpyrimidine2-Dimethylamino-4-methyl-5-n-butyl-6-hydroxypyrimidine1V1RC2A67P2-Dimethylamino-4-hydroxy-5-n-butyl-6-methylpyrimidine5-n-Butyl-2-dimethylamino-4-hydroxy-6-methylpyrimidine

이름 더 보기

PP675MidinolNSC 263490methyrimolimethirimolDimethrimol'LGC' (1633)

PP-675NSC-263490DTXSID8041874CHEBI:819582-Dimethylamino-6-hydroxy-4-methyl-5-butylpyrimidineRefChem:588060DTXCID6021874226-021-7

데이터베이스 식별자

CAS: 5221-53-4
PubChem CID: 135424353
DTXSID: DTXSID8041874
ChEMBL: CHEMBL2288252
ChEBI: CHEBI:81958
UNII: 1V1RC2A67P
EC Number: 226-021-7
Nikkaji: J3.070H

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 44.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 316

실험 및 물리화학적 성질

Pesticides · 2건

Fungicides

Active substance -> EU Pesticides database: Not approved

LogP1.9

물리화학적 성질

녹는점: 103 ℃ · 103℃
끓는 점: 348.66 °C · 348.66°C (rough estimate)
밀도: 1.0465 · 1.0465 (rough estimate)
증기압: 1.5 x · 1.5 x 10-3 Pa at 30 °C
굴절률: 1.57 · 1.5700 (estimate)
저장 조건: 0 · 0-6°C
산도 계수 (pKa): 5 · 5
수용성: 1.2 g · 1.2g l-1(25°C)
Henry's Law Constant: 2.3 · 2.3×1010 mol/(m3Pa) at 25℃, MacBean (2012)
InChI: InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)
InChIKey: CJHXCRMKMMBYJQ-UHFFFAOYSA-N
SMILES: C1(N(C)C)=NC(C)=C(CCCC)C(=O)N1
EPA: Dimethirimol (5221-53-4)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H311 (98.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]

P262, P264, P270, P280, P302+P352, P316, P321, P361+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information2002/2076

Other Safety InformationIMAP assessments - 4(1H)-Pyrimidinone, 5-butyl-2-(dimethylamino)-6-methyl-: Human health tier I assessment

Hazard Classes and CategoriesAcute Tox. 3 (98.5%)

안전 데이터

독성: LD50 in female rats (mg/kg): 200-400 i.p., >4000 orally (Elias)
risk_code: 21-52
hazard_code: Xn
safety_code: 36/37

화학 및 산업

응용 분야

용도Dimethirimol is a systemic fungicide that provides both protective and curative control of powdery mildew (Sphaeratheca fulginea) in cucurbits. Other uses include tobacco, tomatoes and ornamentals.

상·하류 제품 정보

상류 원료

공급사29 곳

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

四川库利南科技有限公司400-1166-196 18981987031 · [email protected]

艾科试剂4008-755-333 18080918076 · [email protected]

추가 설명 · 1건

정의ChEBI: A member of the class of aminopyrimidines that is 2-dimethylaminopyrimidine carrying methyl, butyl and hydroxy substituents at posiitons 4, 5 and 6 respectively. A fungicide first marketed in 1970, and used particularly in glasshouses to control powdery mi dew, it is no longer approved for use within the European Union.

연결된 노트

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