8-Hydroxy-2-quinolinecarboxaldehyde
AKOS BBS-00000128 · 8-hydroxyquinaldaldehyde · Quinaldaldehyde, 8-hydroxy- · 8-Hydroxy-2-quinolinecarbaldehyde · 8-HYDROXY-QUINOLINE-2-CARBALDEHYDE · 8-Hydroxy-2-quinolinecarboxaldehyde · 8-HYDROXYQUINOLINE-2-CARBOXALDEHYDE · 2-Quinolinecarboxaldehyde, 8-hydroxy-
식별자 및 물리적 특성
| CAS No. | 14510-06-6 |
|---|---|
| 분자식 | C10H7NO2 |
| 평균 분자량 | 173.17 g/mol |
| 단동위원소 질량 | 173.04767846 g/mol |
| SMILES | O=Cc1ccc2cccc(O)c2n1 |
| InChIKey | SLBPIHCMXPQAIQ-UHFFFAOYSA-N |
| PubChem CID | 599342 |
| ChEMBL | CHEMBL2321986 |
| ChEBI | CHEBI:183895 |
| EC No. | 627-898-2 |
| DTXSID | DTXSID20344771 |
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 | 195 |
| 녹는점 | 97-100 °C |
| 끓는 점 | 392.2±22.0 °C(Predicted) |
| 밀도 | 1.364±0.06 g/cm3(Predicted) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| pKa(산도 계수) | 9.27±0.10(Predicted) |
| 물리적 상태 | 결정성 분말 |
| 색상 | 노란색 |
| BRN | 127519 |
| InChI | InChI=1S/C10H7NO2/c12-6-8-5-4-7-2-1-3-9(13)10(7)11-8/h1-6,13H |
| InChIKey | SLBPIHCMXPQAIQ-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC=CC=2O)C=CC=1C=O |
화학적 성질
yellow 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 42 reports by companies from 5 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 |
| 관세 코드 | 29339900 |
| 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
용도
8-Hydroxy-2-quinolinecarboxaldehyde (8-hydroxyquinoline-2-carbaldehyde) may be used in the preparation of:8-hydroxy-2-quinoline-1-aminopyrene by Schiff-base reaction with 1-aminopyrene(E)-2-((2-(pyridin-2-yl)hydrazono)methyl)quinolin-8-ol by coupling with 2-hydrazinopyridine8-hydroxyquinoline-2-carbaldehyde oxime2-[(8-Hydroxyquinoline)-2-methylaminoethyl]-β-D-glucopyranoside
일반 설명
8-Hydroxy-2-quinolinecarboxaldehyde can be prepared from 2-methylquinolin-8-ol via oxidation using selenium dioxide.