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기본 정보
- CAS
15450-76-7- 표준 SMILES
O=c1ccc2cccc(O)c2[nH]1- InChIKey
ZXZKYYHTWHJHFT-UHFFFAOYSA-N- 분자식
- C9H7NO2
- 평균 분자량
- 161.16 g/mol
- 단동위원소 질량
- 161.04767847
이름 및 식별자
- 우선 이름
- 8-hydroxyquinolin-2(1H)-one
- IUPAC
- 8-hydroxy-1H-quinolin-2-one
- 영어명
- 2,8-Quinolinediol
- 분자식
- C9H7NO2
- 분자량
- 161.16
이름 및 동의어
8-hydroxyquinolin-2(1H)-oneCHEBI:48988RefChem:5481542,8-Quinolinediol15450-76-7quinoline-2,8-diol2,8-Dihydroxyquinoline8-Hydroxycarbostyril8-hydroxy-1H-quinolin-2-one2(1H)-Quinolinone, 8-hydroxy-8-Hydroxy-2(1H)-quinolinone8-Hydroxycarbostyryl
이름 더 보기
8-Hydroxy-2-quinolinoneProcaterol Impurity2,8-Dihydroxyquinoline, 8-Hydroxycarbostyril, 8-Hydroxyquinolin-2(1H)-one8-diolinedioL
Carbostyril, 8-hydroxy-Quinolin-2,8-diol8-HydroxyquinoloneMFCD00216696466PKO4UBMNSC-1083838-hydroxyhydroquinolin-2-one2,8-Dihydroxyquinoline; 8-Hydroxy-1H-quinolin-2-one; 8-Hydroxy-2-oxo-1,2-dihydroquinoline; 8-Hydroxycarbostyril; 8-Hydroxyquinolin-2-one
데이터베이스 식별자
- CAS
15450-76-7- PubChem CID
- 97250
- DTXSID
DTXSID70165650- ChEMBL
CHEMBL5083704- ChEBI
CHEBI:17715- UNII
- 466PKO4UBM
- EC Number
- 604-962-8
- Nikkaji
- J28.252I
물성
구조 계산 물성보충 중
- XLogP
- 1
- 극성 표면적
- 49.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 225
물리화학적 성질
- 녹는점
- 290 °C · ~290 °C (dec.)
- 끓는 점
- 403.2 · 403.2±45.0 °C(Predicted)
- 밀도
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 8.85 · 8.85±0.20(Predicted)
- 색상
- 진한 적갈색
- BRN
- 472906 · 472906
- InChI
- InChI=1S/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12)
- InChIKey
- ZXZKYYHTWHJHFT-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2O)C=CC1=O
화학적 성질
Brown Powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)
안전 데이터
- wgk
- 3
- HS 번호
- 2933499090
- risk_code
- 36/37/38-36/38
- 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
약리 정보
Metabolism/Metabolites2,8-Dihydroxyquinoline has known human metabolites that include 2,8-Dihydroxyquinoline-beta-D-glucuronide.
응용 분야
용도2,8-Quinolinediol is a substituted quinolinone derivative used in the preparation of pharmaceutical compounds.
일반 설명2,8-Quinolinediol is a quinolone derivative. It has been reported as metabolite of 8-hydroxyquinoline-N-oxide in rabbits. Synthesis of 2,8-quinolinediol has been reported. It is reported as one of the six possible forms of 8-hydroxycarbostyril. It has been detected as new UV-absorbing compound (UAC) in cow milk and its structure was elucidated using HRMS and by 1H, 13C and 1H ×13C NMR.It is also known as 8-hydroxycarbostyril or 8-hydroxyquinolin-2(1H)-one.
상·하류 제품 정보
하류 제품
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
南京凯天化工有限公司+86 (25) 5860-8846 · [email protected]
上海迈瑞尔生化科技有限公司
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