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기본 정보
- CAS
1571-30-8- 표준 SMILES
O=C(O)c1ccc2cccc(O)c2n1- InChIKey
UHBIKXOBLZWFKM-UHFFFAOYSA-N- 분자식
- C10H7NO3
- 평균 분자량
- 189.17 g/mol
- 단동위원소 질량
- 189.04259309
이름 및 식별자
- 우선 이름
- 8-Hydroxyquinaldic acid
- IUPAC
- 8-hydroxyquinoline-2-carboxylic acid
- 영어명
- 8-HYDROXYQUINOLINE-2-CARBOXYLIC ACID
- 분자식
- C10H7NO3
- 분자량
- 189.17
이름 및 동의어
8-Hydroxyquinaldic acidRefChem:5481668-hydroxyquinoline-2-carboxylic acid1571-30-88-Hydroxy-2-quinolinecarboxylic acidBAY32-59152-Quinolinecarboxylic acid, 8-hydroxy-Quinaldic acid, 8-hydroxy-MFCD00168972BRN 01460828-hydroxyquinaldinic acidOprea1_440614
이름 더 보기
RARECHEM AL BO 11878-hydroxy-quinaldicaciBAY32-5915, 10 mM in DMSOMoxifloxacin Impurity 196Benzyl Benzoate Impurity 68-HYDROXYQUINOLINE-2-CARBOXYLATE8-HydroxyQuinoline-2-Carbaxylicacid
MLS000849721ST086494BDBM237136Moxifloxacin Impurity 518HCQuinolinecarboxylic acid, 8-hydroxy-4lv4EBM66FCM33
데이터베이스 식별자
- CAS
1571-30-8- PubChem CID
- 74079
- DTXSID
DTXSID00166211- ChEMBL
CHEMBL1368601- ChEBI
CHEBI:109435- UNII
- EBM66FCM33
- EC Number
- 626-995-7
- Nikkaji
- J36.504A
물성
구조 계산 물성보충 중
- XLogP
- 1.7
- 극성 표면적
- 70.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 231
물리화학적 성질
- 녹는점
- 213 · 213-214 °C
- 끓는 점
- 324.41 °C · 324.41°C (rough estimate)
- 밀도
- 1.3175 · 1.3175 (rough estimate)
- 굴절률
- 1.54 · 1.5400 (estimate)
- 저장 조건
- 2 · Storage temp. 2-8°C
- 산도 계수 (pKa)
- 1.32 · 1.32±0.30(Predicted)
- 물리적 상태
- 결정성 분말
- 색상
- 노란색
- BRN
- 146082 · 146082
- InChI
- 1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14)
- InChIKey
- UHBIKXOBLZWFKM-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ccc2cccc(O)c2n1
화학적 성질
yellow crystalline 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 (97.8%): 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 46 reports by companies from 6 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 (97.8%)
안전 데이터
- wgk
- 3
- rtecs
- UZ9450000
- HS 번호
- 29334910
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도8-Hydroxy-2-quinolinecarboxylic acid may be used in the preparation of bis (8-hydroxyquinoline-2-carboxylato-Κ3N,O,O′) cobalt (II) trihydrate.
일반 설명8-Hydroxy-2-quinolinecarboxylic acid (8HQC) is a tridentate chelating agent. It reacts with 2-aminophenol to form a benzoxazole derivative, which can undergo fluorescence quenching in water, making it a viable candidate for developing a probe for detecting water in aprotic organic solvents. The analysis of mid-IR and Raman spectra of 8HQC shows the presence of seven tautomers.
상·하류 제품 정보
상류 원료
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