Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-(3-피리딜)-1,3-티아졸-4-카르복실산
2-(3-피리딜)-1,3-티아졸-4-카르복실산 · BUTTPARK 98\12-24 · 2-(3-pyridinyl)-4-thiazolecarboxylic acid · 2-PYRIDIN-3-YL-THIAZOLE-4-CARBOXYLIC ACID · 4-Thiazolecarboxylicacid, 2-(3-pyridinyl)- · 2-(3-PYRIDYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID · 2-(3-Pyridyl)thiazole-4-carboxylic acid, 97% · 2-(3-PYRIDINYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID
식별자 및 물리적 특성
| CAS No. | 39067-29-3 |
|---|---|
| 분자식 | C9H6N2O2S |
| 평균 분자량 | 206.22 g/mol |
| 단동위원소 질량 | 206.01499843 g/mol |
| SMILES | O=C(O)c1csc(-c2cccnc2)n1 |
| InChIKey | FOQFGMAZUTUELM-UHFFFAOYSA-N |
| PubChem CID | 736513 |
| EC No. | 670-393-7 |
| DTXSID | DTXSID00353048 |
| 현지명 | 2-(3-피리딜)-1,3-티아졸-4-카르복실산 |
화학 및 물리적 성질
| XLogP | 1.4 |
|---|---|
| 극성 표면적 | 91.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 225 |
| 녹는점 | 283 °C |
| 끓는 점 | 460.3±51.0 °C(Predicted) |
| 밀도 | 1.440±0.06 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | 3.29±0.10(Predicted) |
안전 및 규제
| GHS 분류 | WarningH315 (100%): 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 35 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 관세 코드 | 2934100090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36/37/39 |
| 위험 등급 | IRRITANT |
용도
용도
2-(3-Pyridyl)thiazole-4-carboxylic acid is a pyridylthiazole compound that has use in a variety of diverse applications from highly luminescent heterocyclic compounds to potential antiulcer drugs, to the formation of double and triple helicates with Cu(II) and to the mesoscopically ordered pH-responsive hybrid materials.