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기본 정보
- CAS
15733-89-8- 표준 SMILES
O=C(O)c1cc(=O)[nH]c2ccccc12- InChIKey
MFSHNFBQNVGXJX-UHFFFAOYSA-N- 분자식
- C10H7NO3
- 평균 분자량
- 189.17 g/mol
- 단동위원소 질량
- 189.04259309
이름 및 식별자
- 우선 이름
- 2-Hydroxyquinoline-4-carboxylic acid
- IUPAC
- 2-oxo-1H-quinoline-4-carboxylic acid
- 영어명
- 2-Hydroxy-4-quinolincarboxylic acid
- 분자식
- C10H7NO3
- 분자량
- 189.17
이름 및 동의어
2-Hydroxyquinoline-4-carboxylic acid15733-89-884906-81-02-oxo-1,2-dihydroquinoline-4-carboxylic acid2-Hydroxycinchoninic acid2-Hydroxy-4-quinolincarboxylic acid2-oxo-1H-quinoline-4-carboxylic acid4-CarboxycarbostyrilCinchoninic acid, 2-hydroxy-4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-MFCD000239422-oxocinchoninic acid
이름 더 보기
AKOS AUF0188RARECHEM AQ NN 0221IFLAB-BB F1918-00802-hydroxycinchoninicCinchocaine impurity BPiraxostat Impurity 72-hydroxy-cinchoninicaci
2-hydroxy-4-quinolinecarboxylic acid1,2-Dihydro-2-oxoquinoline-4-carboxylic acid4-Quinolinecarboxylic acid, 2-hydroxy-Cinchocaine EP Impurity B1,2-dihydro-2-oxo-4-Quinolinecarboxylic acid2-Hydroxy-quinoline-4-carboxylic acidZ1Q2K479UQEnamin
데이터베이스 식별자
- CAS
15733-89-8、84906-81-0- PubChem CID
- 85076
- DTXSID
DTXSID40166250- ChEMBL
CHEMBL2048387- ChEBI
CHEBI:52045- UNII
- Z1Q2K479UQ
- EC Number
- 239-827-9、628-092-3
- Nikkaji
- J28.307J
물성
구조 계산 물성보충 중
- XLogP
- 0.6
- 극성 표면적
- 66.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 308
물리화학적 성질
- 녹는점
- 350 °C · 350°C
- 끓는 점
- 403.6 · 403.6±45.0 °C(Predicted)
- 밀도
- 1.429 · 1.429±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 25℃
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨, 초음파처리)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.76 · 2.76±0.20(Predicted)
- 색상
- 노란색에서 진한 노란색까지
- BRN
- 148331 · 148331
- InChI
- InChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)
- InChIKey
- MFSHNFBQNVGXJX-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C(C(O)=O)=CC1=O
- LogP
- 0.3 at · 0.3 at 25℃ and pH7
화학적 성질
Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 3.8% (2 of 52) of reports.
Warning
H302 (78.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (19.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (94.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (17.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 52 reports by companies.；There are 7 notifications provided by 50 of 52 reports by companies with hazard statement code(s).；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
Regulatory InformationStatus: Active Update: 18-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26730；Status: Active Update: 11-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30898
Hazard Classes and Categories
Acute Tox. 4 (78.8%)；Skin Irrit. 2 (19.2%)；Eye Irrit. 2A (94.2%)；STOT SE 3 (17.3%)
Acute Tox. 4 (100%)
규제 정보
Regulatory Information
화학 및 산업
응용 분야
용도1,2-Dihydro-2-oxo-4-quinolinecarboxylic Acid is a chemical constituent of vinegar Schisandra chinensis and is used as a indicator reagent in marking security documents.
상·하류 제품 정보
상류 원료
하류 제품
공급사79 곳
常州帝通化工有限公司+86-0519-88298848 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
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