CAS 57369-32-1 Pyroquilon (HCID 91665)

개요

Pyroquilon is a pyrroloquinoline that is 1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline in which the hydrogens at position 4 are replaced by an oxo group. A fungicide used to control rice blast, it is not approved wof use within the European Union. It has a role as a melanin synthesis inhibitor and an antifungal agrochemical. It is a pyrroloquinoline and a delta-lactam.

이름 및 식별자

우선 이름: Pyroquilon
IUPAC: 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
영어명: PYROQUILON
분자식: C11H11NO
분자량: 173.21

이름 및 동의어

Pyroquilon57369-32-1CoratopPyroquiloneFongoreneFongorenLilolidone1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-oneFUNGORENE1,2,5,6-TETRAHYDROPYRROLO[3,2,1-IJ]QUINOLIN-4-ONEWS195Z0WJH1,2,5,6-TETRAHYDRO-4H-PYRROLO(3,2,1-IJ)QUINOLIN-4-ONE

이름 더 보기

CG 114cga49104FONGARENE

1,2,5,6-Tetrahydropyrrolo(3,2,1-ij)quinolin-4-oneCG-114CGA-49104DTXSID60581324H-Pyrrolo(3,2,1-ij)quinolin-4-one, 1,2,5,6-tetrahydro-CHEBI:451414H-Pyrrolo[3,2,1-ij]quinolin-4-one, 1,2,5,6-tetrahydro-1-azatricyclo(6.3.1.0^(4,12))dodeca-4(12),5,7-trien-11-one

데이터베이스 식별자

CAS: 57369-32-1
PubChem CID: 91665
DTXSID: DTXSID6058132
ChEMBL: CHEMBL144366
ChEBI: CHEBI:45141
UNII: WS195Z0WJH
EC Number: 611-516-6
Nikkaji: J11.751J

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 238

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

Pesticides · 2건

Fungicides

Active substance -> EU Pesticides database: Not approved

LogP1.57

Solubility4 mg/mL at 20 °C

Melting Point112 - 113 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 112 ℃ · 112℃
끓는 점: 355.2 · 355.2±42.0 °C(Predicted)
밀도: 1.25 · 1.25±0.1 g/cm3(Predicted)
증기압: 1.6 x · 1.6 x 10-4 Pa (20 °C)
저장 조건: 0 · 0-6°C
수용성: 4000 mg · 4000mg l-1(20°C)
산도 계수 (pKa): 1.81 · 1.81±0.20(Predicted)
Henry's Law Constant: 5.1 · 5.1×103 mol/(m3Pa) at 25℃, Ebert et al. (2023)
주요 응용: 농업환경
InChI: InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2
InChIKey: XRJLAOUDSILTFT-UHFFFAOYSA-N
SMILES: N12CCC3=C1C(=CC=C3)CCC2=O

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

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)

유해성 정보

Regulatory Information2002/2076

Hazard Classes and Categories · 3건

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

안전 데이터

wgk: 2
rtecs: UY9480000
HS 번호: 29334900
risk_code: 22-52/53
hazard_code: Xn
safety_code: 61
기존화학 물질: KE-33504
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

응용 분야

용도Pyroquilon is used for the control of blast (Pyricularia oryzae) in rice.

상·하류 제품 정보

상류 원료

하류 제품

8-bromo-5,6-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-4(2H)-one

공급사46 곳

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

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

广东百科试剂有限公司13532366769 13686183698 · [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]

추가 설명 · 1건

정의ChEBI: A pyrroloquinoline that is 1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline in which the hydrogens at position 4 are replaced by an oxo group. A fungicide used to control rice blast, it is not approved wof use within the Eur pean Union.