4-퀴노리놀
4-퀴노리놀 · 4-하이드록시퀴놀린 · 4-HYDROXYQUINOLINE · QUINOLIN-4-OL · QUINOLIN-4(1H)-ONE · 4(1H)-QUINOLINONE · 4-QUINOLINOL · KYNURINE
식별자 및 물리적 특성
| CAS No. | 529-37-3 |
|---|---|
| 분자식 | C9H7NO |
| 평균 분자량 | 145.16 g/mol |
| 단동위원소 질량 | 145.05276384 g/mol |
| SMILES | O=c1cc[nH]c2ccccc12 |
| InChIKey | PMZDQRJGMBOQBF-UHFFFAOYSA-N |
| PubChem CID | 69141 |
| ChEMBL | CHEMBL1232567 |
| ChEBI | CHEBI:155900 |
| EC No. | 210-268-2 |
| DTXSID | DTXSID50209980 |
| 현지명 | 4-퀴노리놀 |
화학 및 물리적 성질
| XLogP | 0.6 |
|---|---|
| 극성 표면적 | 29.1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 198 |
| LogP(분배 계수) | 0.58 |
| 녹는점 | 200-202 °C(lit.) |
| 끓는 점 | 264.27°C (rough estimate) |
| 밀도 | 1.1555 (rough estimate) |
| 굴절률 | 1.4500 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 메탄올에 용해됩니다. |
| 물리적 상태 | 결정질 분말 또는 바늘 |
| pKa(산도 계수) | 2.23, 11.28(at 20℃) |
| 색상 | 연한 베이지색에서 노란색까지 |
| 용해도 | 4.8g/L(15℃) |
| BRN | 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(분배 계수) | 2.450 (est) |
| NIST | 4-Quinolinol(611-36-9) |
화학적 성질
LIGHT BEIGE TO YELLOWISH CRYST. POWDER OR NEEDLES
안전 및 규제
| GHS 분류 | WarningH315 (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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | VC4070000 |
| 관세 코드 | 29334900 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36-37/39 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
4-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.
용도
4-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 설명
4-Quinolinol (4-quinolone) is a quinolone compound which forms the core moiety of antibacterials such as norfloxacin, nalidixic acid, ciprofloxacin and cinoxacin.