기본 정보
- CAS
1677-46-9- 표준 SMILES
Cn1c(=O)cc(O)c2ccccc21- InChIKey
RTNPPPQVXREFKX-UHFFFAOYSA-N- 분자식
- C10H9NO2
- 평균 분자량
- 175.18 g/mol
- 단동위원소 질량
- 175.06332853
개요
N-methyl-4-hydroxy-2-quinolinone is a quinolone and a hydroxyquinoline.
이름 및 식별자
- 우선 이름
- 4-Hydroxy-N-methylcarbostyril
- IUPAC
- 4-hydroxy-1-methylquinolin-2-one
- 현지명
- 4-히드록시-1-메틸-2(1H)-퀴놀론
- 영어명
- 4-Hydroxy-1-methyl-2-quinolone
- 분자식
- C10H9NO2
- 분자량
- 175.18
이름 및 동의어
1677-46-94-Hydroxy-1-methyl-2-quinolone4-hydroxy-1-methylquinolin-2(1H)-one4-Hydroxy-1-methyl-2(1H)-quinolone2(1H)-Quinolinone, 4-hydroxy-1-methyl-4-Hydroxy-1-methylcarbostyril4-Hydroxy-N-methylcarbostyril1-Methyl-4-hydroxycarbostyril4-Hydroxy-1-methyl-2(1H)-quinolinone1-Methyl-4-hydroxy-2-chinolonCARBOSTYRIL, 4-HYDROXY-1-METHYL-N-Methyl-4-hydroxykarbostyril
이름 더 보기
4-히드록시-1-메틸-2(1H)-퀴놀론4-하이드록시-1-메틸-2-쿼노론AURORA KA-2363Compound Fr122474-hydroxy-1-methyl-carbostyri1-Methyl-4-hydroxy-2-quinolone
1-Methyl-4-hydroxy-2-chinolinonNSC 399731-Methyl-4-hydroxy-2-chinolon [Czech]EINECS 216-830-3N-Methyl-4-hydroxykarbostyril [Czech]1-methyl-4-hydroxy-2(1H)-quinolinone4-HYDROXY-N-METHYL-2-QUINOLONEBRN 1528990
데이터베이스 식별자
- CAS
1677-46-9
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 260
물리화학적 성질
- 녹는점
- 269 · 269-271 °C (lit.)
- 끓는 점
- 306.47 °C · 306.47°C (rough estimate)
- 밀도
- 1.326 · 1.326
- 굴절률
- 1.506 · 1.5060 (estimate)
- 저장 조건
- 2 · 2-8°C, stored under nitrogen
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- Light yellow to Brown to Dark green
- InChI
- InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-6,12H,1H3
- InChIKey
- RTNPPPQVXREFKX-UHFFFAOYSA-N
- SMILES
- N1(C)C2=C(C=CC=C2)C(O)=CC1=O
- EPA
- 2 · 2(1H)-Quinolinone, 4-hydroxy-1-methyl- (1677-46-9)
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: 2(1H)-Quinolinone, 4-hydroxy-1-methyl-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- FG7350000
- 독성
- mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01354,
- HS 번호
- 2933499090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information2(1H)-Quinolinone, 4-hydroxy-1-methyl-: ACTIVE
응용 분야
용도4-Hydroxy-1-methyl-2(1H)-quinolone was used as nucleophile in electrochemical oxidation of catechols and the reaction was studied by cyclic voltammetry and controlled-potential coulometry. It was used in ceric ammonium nitrate-mediated oxidative cycloaddition of 1,3-dicarbonyls to conjugated compounds to yield substituted dihydrofurans, dihydrofurocoumarins, dihydrofuroquinolinones and dihydrofurophenalenones. It was used in the synthesis of :3-(4-methoxybenzyl)-4-hydroxy-1-methylquinolinone3-(benzo[d][1,3]dioxol-5-ylmethyl)-4-hydroxy-1-methylquinolin-2(1H)-one3-(4-chlorobenzyl)-4-hydroxy-1-methylquinolin-2(1H)-one3,3′-bis(4-chlorobenzylidene)-1,10-methylquinolin-2,20-(1H)-one
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