Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-Methyl-5-nitro-2-pyridone
3-Methyl-5-nitro-2-pyridon · 3-METHYL-5-NITRO-2-PYRIDONE · 3-methyl-5-nitropyridin-2-ol · 3-METHYL-5-NITRO-2-PYRIDINOL · 2-HYDROXY-5-NITRO-3-PICOLINE · 2-Hydroxy-3-Methyl-5-nitropyri · 2-Hydroxy-5-nitro-3-picoline,98% · 3-methyl-5-nitro-1H-pyridin-2-one
식별자 및 물리적 특성
| CAS No. | 21901-34-8 |
|---|---|
| 분자식 | C6H6N2O3 |
| 평균 분자량 | 154.12 g/mol |
| 단동위원소 질량 | 154.03784205 g/mol |
| SMILES | Cc1cc([N+](=O)[O-])c[nH]c1=O |
| InChIKey | FPTYZBDNBMVYCL-UHFFFAOYSA-N |
| PubChem CID | 89097 |
| EC No. | 244-647-9 |
| DTXSID | DTXSID40176314 |
화학 및 물리적 성질
| XLogP | 0.1 |
|---|---|
| 극성 표면적 | 74.9 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 272 |
| 녹는점 | 230-234 °C |
| 끓는 점 | 277.46°C (rough estimate) |
| 밀도 | 1.4564 (rough estimate) |
| 굴절률 | 1.5100 (estimate) |
| 저장 조건 | 2-8°C |
| 용해도 | soluble in Dimethylformamide |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 8.65±0.10(Predicted) |
| 색상 | Light yellow to Brown to Dark green |
| BRN | 126949 |
| InChI | 1S/C6H6N2O3/c1-4-2-5(8(10)11)3-7-6(4)9/h2-3H,1H3,(H,7,9) |
| InChIKey | FPTYZBDNBMVYCL-UHFFFAOYSA-N |
| SMILES | Cc1cc(cnc1O)[N+]([O-])=O |
화학적 성질
Green-yellow solid
안전 및 규제
| GHS 분류 | DangerH302 (91.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 73 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (91.8%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | 2811 |
| 관세 코드 | 29333990 |
| 위험 문구(R) | 36/37/38-41-37/38-22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 37/39-26-36 |
| 포장분류 | III |
| 위험 등급 | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2-Hydroxy-3-methyl-5-nitropyridine serves as a coupling partner in Cu-catalyzed reactions with diaryliodonium salts to produce coupled products in 87% yield within 5 minutes[6]. The compound exhibits unreactivity in certain catalytic systems, attributed to the decreased nucleophilicity of the hydroxypyridine moiety[7].