Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
퀴날딘산
퀴날딘산 · 퀴날드산 · QUINOLINE-2-CARBOXYLIC ACID · 2-QUINOLINECARBOXYLIC ACID · QND · Quinaldate · 2-Quinolinecarboxylate · Quinaldic acid, 99% 10GR
식별자 및 물리적 특성
| CAS No. | 93-10-7 |
|---|---|
| 분자식 | C10H7NO2 |
| 평균 분자량 | 173.17 g/mol |
| 단동위원소 질량 | 173.04767846 g/mol |
| SMILES | O=C(O)c1ccc2ccccc2n1 |
| InChIKey | LOAUVZALPPNFOQ-UHFFFAOYSA-N |
| PubChem CID | 7124 |
| ChEMBL | CHEMBL1160559 |
| ChEBI | CHEBI:18386 |
| EC No. | 202-218-3 |
| DTXSID | DTXSID6059079 |
| 현지명 | 퀴날딘산 |
화학 및 물리적 성질
| XLogP | 1.6 |
|---|---|
| 극성 표면적 | 50.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 205 |
| 물질 분류 | Nitrogen Compounds -> Quinolines |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Crystal structure |
| 용해도 | 14.0 mg/mL14g/L |
| 녹는점 | 156 °C156-158 °C (lit.) |
| Physical Description | Off-white or yellow powder[Alfa Aesar MSDS]Solid |
| Collision Cross Section | 132 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]132.3 Ų [M+H]+ |
| 끓는 점 | 247-250 |
| 밀도 | 1.2427 (rough estimate) |
| 굴절률 | 1.5200 (estimate) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 물리적 상태 | 바늘 모양의 결정성 분말 |
| pKa(산도 계수) | 1.20±0.30(Predicted) |
| 색상 | 연한 갈색 |
| pH | 3.0-3.5 (10g/l, H2O, 20℃) |
| 용해도 | 녹는 |
| Merck | 14,8046 |
| BRN | 126322 |
| InChI | 1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) |
| InChIKey | LOAUVZALPPNFOQ-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc2ccccc2n1 |
| NIST | 2-Quinolinecarboxylic acid(93-10-7) |
| EPA | 2-Quinolinecarboxylic acid (93-10-7) |
화학적 성질
light brown needle-like crystalline powder
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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 2-Quinolinecarboxylic acidQuinaldic acid: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 유해성 요약 | A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UZ9100000 |
| 관세 코드 | 29334990 |
| 위험 문구(R) | 36/37/38-23/24/25 |
| 위험 표시 | Xi,T |
| 안전 문구(S) | 26-36-37/39-45-36/37/39 |
| 위험 등급 | IRRITANT |
| 기존화학 물질 | KE-30041 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
For the determination of copper, zinc and uranium with which it forms insoluble salts.
일반 설명
Quinaldic acid is also referred as quinoline-2-carboxylic acid. Microwave-assisted preparation of substituted anilides of quinaldic acid has been reported. It inhibits the oxidation of pyruvate, α-ketoglutarate, glutamate and citrate in rat liver mitochondria. Quinaldic acid is a metabolite of tryptophan degradation and inhibits the gluconeogenesis in perfused livers.