Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Bromo-3-pyridinol
2-BROMOPYRIDIN-3-OL · 2-BROMO-3-PYRIDINOL · 2-bromo-3-pyridino · 2-Bromo-3-pyridine · 2-Brompyridin-3-ol · TIMTEC-BB SBB003805 · 3-PYRIDINOL, 2-BROMO- · LABOTEST-BB LT01143272
식별자 및 물리적 특성
| CAS No. | 6602-32-0 |
|---|---|
| 분자식 | C5H4BrNO |
| 평균 분자량 | 174 g/mol |
| 단동위원소 질량 | 172.94763 g/mol |
| SMILES | Oc1cccnc1Br |
| InChIKey | YKHQFTANTNMYPP-UHFFFAOYSA-N |
| PubChem CID | 23070 |
| EC No. | 229-547-5 |
| DTXSID | DTXSID8022242 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 33.1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 78 |
| Physical Description | Off-white powder[Alfa Aesar MSDS] |
| 녹는점 | 185-188 °C(lit.) |
| 끓는 점 | 321.7±22.0 °C(Predicted) |
| 밀도 | 1.5643 (rough estimate) |
| 굴절률 | 1.5500 (estimate) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| pKa(산도 계수) | 4.32±0.10(Predicted) |
| 물리적 상태 | 결정성 분말 |
| 색상 | 밝은 갈색에서 회색까지 |
| 용해도 | 알코올에 용해됩니다. 물에 불용성. |
| BRN | 109829 |
| InChI | InChI=1S/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H |
| InChIKey | YKHQFTANTNMYPP-UHFFFAOYSA-N |
| SMILES | C1(Br)=NC=CC=C1O |
| NIST | 3-Pyridinol, 2-bromo-(6602-32-0) |
화학적 성질
LIGHT BROWN TO GREY CRYSTALLINE POWDER
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 유해성 요약 | Intravenous LD50 (mouse) = 320 mg/kg[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See Clopidol. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (98%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | UU7705000 |
| 관세 코드 | 29333999 |
| 위험 문구(R) | 36/37/38-20/21/22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-36-24/25 |
| 위험 등급 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| F 고인화성물질 | 10 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2-Bromo-3-hydroxypyridine is used to produce 2-bromo-4,6-diiodo-3-pyridinol. It is also used in azo dyes and in the synthesis of pterocellin A by reacting with kojic acid and in synthesis of orelline.