Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,3-디하이드로-1,4,5,8-테트라하이드록시안트라퀴논
2,3-디하이드로-1,4,5,8-테트라하이드록시안트라퀴논 · 5,8-Dihydroxyleucoquinizarin · Mitoxantrone Impurity 3 · Mitoxantrone Impurity 7 · Leucotetrahydroxyanthraquinone · 2,3-Dihydro-1,4,5,8-tetrahydroxyanthrachinon · 2,3-dihydro-1,4,5,8-tetrahydroxyanthraquinone · 1,4,5,8-Tetrahydroxyanthraquinone, leuco derivative
식별자 및 물리적 특성
| CAS No. | 81-59-4 |
|---|---|
| 분자식 | C14H10O6 |
| 평균 분자량 | 274.22 g/mol |
| 단동위원소 질량 | 274.04773803 g/mol |
| SMILES | O=C1CCC(=O)c2c1c(O)c1c(O)ccc(O)c1c2O |
| InChIKey | QJQPINQAQJTYMH-UHFFFAOYSA-N |
| PubChem CID | 66485 |
| EC No. | 201-364-5 |
| 현지명 | 2,3-디하이드로-1,4,5,8-테트라하이드록시안트라퀴논 |
화학 및 물리적 성질
| XLogP | 2 |
|---|---|
| 극성 표면적 | 115 |
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 395 |
| 끓는 점 | 543.8±50.0 °C(Predicted) |
| 밀도 | 1.79±0.1 g/cm3(Predicted) |
| 저장 조건 | Refrigerator |
| 용해도 | DMSO(아주 약간 용해됨, 가열됨) |
| pKa(산도 계수) | 4.20±1.00(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 짙은 갈색에서 검정색까지 |
| EPA | 9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy- (81-59-4) |
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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 38 reports by companies from 1 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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| TSCA 등재 상태 | TSCA listed |
용도
용도
5,8-Dihydroxyleucoquinizarin is a reactant used in the preparation of chloroethylaminoethylaminoanthraquinones with potent cytotoxicity against cisplatin-resistant tumor cells.