Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3,4-디하이드로-6-니트로-2(1H)-퀴놀리논
3,4-디하이드로-6-니트로-2(1H)-퀴놀리논 · 6-nitro-3,4-dihydrocarbostyril · 3,4-Dihydro-6-nitro-carbostyril · 6-Nitro-1,3,4-trihydroquinolin-2-one · 3,4-Dihydro-6-nitro-2(1H)-quinolinone · 3,4-Dihydro-6-nitroquinolin-2(1H)-one · 6-Nitro-3,4-dihydro-1H-quinolin-2-one · 3,4-Dihydro-6-nitro-1H-quinolin-2-one
식별자 및 물리적 특성
| CAS No. | 22246-16-8 |
|---|---|
| 분자식 | C9H8N2O3 |
| 평균 분자량 | 192.17 g/mol |
| 단동위원소 질량 | 192.05349212 g/mol |
| SMILES | O=C1CCc2cc([N+](=O)[O-])ccc2N1 |
| InChIKey | NQMSVHWAVMTBHK-UHFFFAOYSA-N |
| PubChem CID | 5111749 |
| EC No. | 807-862-4 |
| DTXSID | DTXSID10408452 |
| 현지명 | 3,4-디하이드로-6-니트로-2(1H)-퀴놀리논 |
화학 및 물리적 성질
| XLogP | 0.9 |
|---|---|
| 극성 표면적 | 74.9 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 261 |
| 녹는점 | 201-2020C |
| 끓는 점 | 420.3±45.0 °C(Predicted) |
| 밀도 | 1.366±0.06 g/cm3(Predicted) |
| 저장 조건 | Sealed in dry,Store in freezer, under -20°C |
| 용해도 | DMSO및메탄올에 용해됨 |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 13.45±0.20(Predicted) |
| 색상 | 황백색~황갈색 |
화학적 성질
Off-white to yellowish brown solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.There are 2 notifications provided by 2 of 3 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (66.7%)Skin Irrit. 2 (66.7%)Eye Irrit. 2A (66.7%)STOT SE 3 (66.7%) |
| 관세 코드 | 2933499090 |
| 위험 표시 | T |
| 위험 등급 | IRRITANT |
용도
용도
3,4-Dihydro-6-nitro-2(1H)-quinolinone is a useful intermediate for organic synthesis. It is used in the synthesis of triazolyl dihydroquinoliinones with anticonvulsant and antidepressant activity.