Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-피리딘올
3-피리딘올 · PYRIDIN-3-OL · 3-PYRIDINOL · 3-HP · 3-PYRIDOL · 3-PYRIDONE · 2(1H)-PYRIDONE · pyridin-3(4H)-one
식별자 및 물리적 특성
| CAS No. | 109-00-2 |
|---|---|
| 분자식 | C5H5NO |
| 평균 분자량 | 95.1 g/mol |
| 단동위원소 질량 | 95.03711378 g/mol |
| SMILES | Oc1cccnc1 |
| InChIKey | GRFNBEZIAWKNCO-UHFFFAOYSA-N |
| PubChem CID | 7971 |
| ChEMBL | CHEMBL237847 |
| ChEBI | CHEBI:87440 |
| EC No. | 203-637-4 |
| DTXSID | DTXSID1051563 |
| 현지명 | 3-피리딘올 |
화학 및 물리적 성질
| XLogP | 0.5 |
|---|---|
| 극성 표면적 | 33.1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 56 |
| 물질 분류 | Nitrogen Compounds -> PyridinesIndustrial compound |
| SpringerMaterials Properties | Chemical shift |
| LogP(분배 계수) | 0.48 |
| 증기압 | 0.55 [mmHg] |
| Physical Description | Light tan powder[Alfa Aesar MSDS] |
| Ionization Efficiency | Positive2.76Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Collision Cross Section | 117.3 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID1051563] |
| 녹는점 | 125-128 °C (lit.) |
| 끓는 점 | 280-281 °C(lit.) |
| 밀도 | 1.1418 (rough estimate) |
| 굴절률 | 1.5939 (estimate) |
| 인화점 | 173°C |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 33g/L |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | 4.79, 8.75(at 20℃) |
| 색상 | 베이지에서 브라운까지 |
| pH | 6.0-6.5 (33g/l, H2O, 20℃) |
| 용해도 | 32.26g/L(20℃) |
| BRN | 105699 |
| InChI | 1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H |
| InChIKey | GRFNBEZIAWKNCO-UHFFFAOYSA-N |
| SMILES | Oc1cccnc1 |
| LogP(분배 계수) | 0.480 |
| NIST | 3-Pyridinol(109-00-2) |
| EPA | 3-Pyridinol (109-00-2) |
화학적 성질
white to light yellow crystal. Soluble in alcohol and water, slightly soluble in ether and benzene. It becomes a red solution when it encounters ferric chloride, and it is easy to decompose in the air.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 5.2% (3 of 58) of reports.WarningH315 (94.8%): 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 58 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 3-PyridinolStatus: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/197173-Pyridinol: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes anticonvulsant effects in acute intraperitoneal studies of miceCauses altered sleep time and changes in motor activity in lethal-dose studies[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See 2-Hydroxypyridine. |
| Hazard Classes and Categories | Skin Irrit. 2 (94.8%) |
| 유해 작용 | Neurotoxin - Other CNS neurotoxin |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UV1144050 |
| 관세 코드 | 29333999 |
| 위험 문구(R) | 36/37/38-40 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-36-37/39-22 |
| 기존화학 물질 | KE-29950 |
| F 고인화성물질 | 8 |
| 위험 참고 사항 | Irritant |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
3-Hydroxypyridine (cas# 109-00-2) is a compound useful in organic synthesis.
제조 및 합성 방법
제조 방법
3-hydroxypyridine was prepared by reacting furfurylamine with H2O2 in the presence of HCl, followed by hydrolysis. The optimal conditions were found as fellows: molar ratio of furfurylamine: HCl : H2O2 = 1 : 5 : 1.1, and H2O2 added dropwisely at 0-5 °C, and then refluxed at 100-105 °C for 0.5 h.