Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate
SPECS AE-508/36398048 · Methyl2-hydroxynicotinate,97% · Methyl 6-hydroxypyridin-3-carboxylate · 2-Hydroxy-nicotinic acid methyl ester · 1,2-Dihydro-3-(methoxycarbonyl)-2-oxopyridine · Methyl 2-oxo-l,2-dihydropyridine-3-carboxylate · METHYL 2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLATE · Methyl 1,2-dihydro-2-oxopyridine-3-carboxylate
식별자 및 물리적 특성
| CAS No. | 10128-91-3 |
|---|---|
| 분자식 | C7H7NO3 |
| 평균 분자량 | 153.14 g/mol |
| 단동위원소 질량 | 153.04259308 g/mol |
| SMILES | COC(=O)c1ccc[nH]c1=O |
| InChIKey | SILBTMNCGYLTOK-UHFFFAOYSA-N |
| PubChem CID | 579028 |
| EC No. | 692-281-7 |
| DTXSID | DTXSID40906037 |
화학 및 물리적 성질
| XLogP | 0.3 |
|---|---|
| 극성 표면적 | 55.4 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 252 |
| 녹는점 | 115-118°C |
| 끓는 점 | 367.6±42.0 °C(Predicted) |
| 밀도 | 1.263±0.06 g/cm3(Predicted) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| pKa(산도 계수) | 10.07±0.10(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 크림색 |
안전 및 규제
| GHS 분류 | WarningH302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| 관세 코드 | 2933399990 |
| 위험 등급 | IRRITANT |
용도
용도
Methyl 2-oxo-1,2-dihydro-3-pyridinecarboxylate is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.