Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Hydroxypyridinone
HOPO · 2-HYDROXYPYRIDINE 1-OXIDE · 2-HYDROXYPYRIDINE N-OXIDE · HPNO · 1-oxide · 1-HYDROXY-2-PYRIDONE · 1-hydroxypyridin-2-one · 2-Hydorxy Pyridine-N-Oxide
식별자 및 물리적 특성
| CAS No. | 13161-30-3 |
|---|---|
| 분자식 | C5H5NO2 |
| 평균 분자량 | 111.1 g/mol |
| 단동위원소 질량 | 111.0320284 g/mol |
| SMILES | O=c1ccccn1O |
| InChIKey | SNUSZUYTMHKCPM-UHFFFAOYSA-N |
| PubChem CID | 69975 |
| ChEMBL | CHEMBL3898657 |
| EC No. | 212-506-0 |
| DTXSID | DTXSID70231622 |
화학 및 물리적 성질
| XLogP | -0.7 |
|---|---|
| 극성 표면적 | 40.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 160 |
| 화장품 | Hair dyeingFoam boosting |
| LogP(분배 계수) | -0.59 |
| 녹는점 | 147-152 °C |
| 끓는 점 | 387.7±15.0 °C(Predicted) |
| 밀도 | 1.111 |
| 증기압 | 0.223Pa at 25℃ |
| 굴절률 | 1.388 |
| 인화점 | 100 °C |
| 저장 조건 | Inert atmosphere,2-8°C |
| 용해도 | 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | pK1:-0.62pK2:5.97(0) (25°C) |
| 색상 | 황백색에서 밝은 노란색까지 |
| 용해도 | 331g/L |
| BRN | 1422545 |
| InChI | 1S/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,7H |
| InChIKey | JVHZMYAXZUIZKS-UHFFFAOYSA-N |
| SMILES | Oc1cccc[n+]1[O-] |
| LogP(분배 계수) | -1.07 at 25℃ |
| NIST | 2-Pyridinol-1-oxide(13161-30-3) |
화학적 성질
Weight 20% solution in water
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 23% (23 of 100) of reports.WarningH315 (77%): 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 100 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Danger |
|---|---|
| 규제 정보 | Status: Active Update: 25-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20236Status: Active Update: 29-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/266172-Pyridinol, 1-oxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (97.1%)Skin Irrit. 2 (77%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29333990 |
| 위험 문구(R) | 36/37/38-40 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-36-22 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2-Pyridinol 1-oxide can be used: To fabricate gold electrodes for the electrochemical determination of europium using cyclic voltammetry. To prepare polymeric nickel (II) complex of 2-hydroxypyridine-N-oxide. In the synthesis of 1-methoxypyrid-4-one in the presence of sodium methoxide and methyl toluene-9-sulphonate.
일반 설명
2-Pyridinol 1-oxide (HOPO) is a peptide coupling agent used as a subsititue for HOBt. It can form stable chelate complexes with transition metal ions.