기본 정보
- 표준 SMILES
O=c1cc[nH]c2ccccc12- InChIKey
PMZDQRJGMBOQBF-UHFFFAOYSA-N- 분자식
- C9H7NO
- 평균 분자량
- 145.16 g/mol
- 단동위원소 질량
- 145.05276384
개요
4-quinolone is a quinolone that is 1,4-dihydroquinoline substituted by an oxo group at position 4. It is a tautomer of a quinolin-4-ol.
이름 및 식별자
- 우선 이름
- 4-Hydroxyquinoline
- IUPAC
- 1H-quinolin-4-one
- 현지명
- 4-퀴노리놀
- 영어명
- 4-Quinolinol
- 분자식
- C9H7NO
- 분자량
- 145.16
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
529-37-3、611-36-9- PubChem CID
- 69141
- DTXSID
DTXSID50209980- ChEMBL
CHEMBL1232567- ChEBI
CHEBI:155900- UNII
- M1O131WXFO
- EC Number
- 210-268-2
- Nikkaji
- J387.250E、J7.017C
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 29.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 198
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 200 · 200-202 °C(lit.)
- 끓는 점
- 264.27 °C · 264.27°C (rough estimate)
- 밀도
- 1.1555 · 1.1555 (rough estimate)
- 굴절률
- 1.45 · 1.4500 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 메탄올에 용해됩니다.
- 물리적 상태
- 결정질 분말 또는 바늘
- 산도 계수 (pKa)
- 2.23 · 2.23, 11.28(at 20℃)
- 색상
- 연한 베이지색에서 노란색까지
- 수용성
- 4.8 g/L · 4.8g/L(15℃)
- BRN
- 1524969 · 1524969
- InChI
- 1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
- InChIKey
- PMZDQRJGMBOQBF-UHFFFAOYSA-N
- SMILES
- Oc1ccnc2ccccc12
- LogP
- 2.45 · 2.450 (est)
- NIST
- 4 · 4-Quinolinol(611-36-9)
화학적 성질
LIGHT BEIGE TO YELLOWISH CRYST. POWDER OR NEEDLES
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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- wgk
- 3
- rtecs
- VC4070000
- HS 번호
- 29334900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요4-Hydroxyquinoline is a quinoline alkaloid that has been found in Z. lotus honeys. It is a core component of alkyl-4-hydroxyquinoline quorum sensing molecules such as 2-heptyl-3-hydroxy-4(1H)-quinolone and 2-nonyl-3-hydroxy-4-quinolone. 4-Hydroxyquinoline has been used as a precursor in the synthesis of compounds with antibacterial activity. It has also been used as a fluorescent detection reagent for iron(III) in bovine liver samples.
용도4-Hydroxyquinolineis is a raw material in medical research, a hydroxylated quinoline derivative with antimicrobial activity. 4-Hydroxyquinoline showed growth-inhibitory effects against intestinal bacteria. 4-Hydroxyquinoline act as sacrifi cial scavengers of the photogenerated oxygen species and has been shown to prevent the photodegradation of riboflavin.
일반 설명4-Quinolinol (4-quinolone) is a quinolone compound which forms the core moiety of antibacterials such as norfloxacin, nalidixic acid, ciprofloxacin and cinoxacin.
상·하류 제품 정보
하류 제품
공급사38 곳
추가 설명
정의ChEBI: A monohydroxyquinoline carrying a hydroxy group at position 4.
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