Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Amino-5-bromopyrazine
5-BROMOPYRAZIN-2-AMINE · BUTTPARK 29\02-91 · 5-BROMOPYRAZINAMINE · 2-Amino-5-bromopyraz · 5-Bromo-2-pyrazinamie · 2-aimo-5-bromopyrazine · 5-BROMO-2-PYRAZINAMINE · 2-Bromo-5-aminopyrazine
식별자 및 물리적 특성
| CAS No. | 59489-71-3 |
|---|---|
| 분자식 | C4H4BrN3 |
| 평균 분자량 | 174 g/mol |
| 단동위원소 질량 | 172.95886 g/mol |
| SMILES | Nc1cnc(Br)cn1 |
| InChIKey | KRRTXVSBTPCDOS-UHFFFAOYSA-N |
| PubChem CID | 599539 |
| ChEMBL | CHEMBL4555899 |
| EC No. | 626-202-4 |
| DTXSID | DTXSID00344794 |
화학 및 물리적 성질
| XLogP | 0.7 |
|---|---|
| 극성 표면적 | 51.8 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 77 |
| 녹는점 | 113-117 °C (lit.) |
| 끓는 점 | 274.2±35.0 °C(Predicted) |
| 밀도 | 1.844±0.06 g/cm3(Predicted) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 에탄올, 에틸아세테이트, 메탄올 에 용해됨 |
| 물리적 상태 | 갈색 바늘 모양의 소재 |
| pKa(산도 계수) | 1.66±0.10(Predicted) |
| 색상 | 밝은 노란색에서 갈색까지 |
| InChI | InChI=1S/C4H4BrN3/c5-3-1-8-4(6)2-7-3/h1-2H,(H2,6,8) |
| InChIKey | KRRTXVSBTPCDOS-UHFFFAOYSA-N |
| SMILES | C1(N)=NC=C(Br)N=C1 |
화학적 성질
Brown Needles
안전 및 규제
| GHS 분류 | DangerH302 (94.2%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (78.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (78.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (19.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (15.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (94.2%)Skin Irrit. 2 (98.1%)Skin Sens. 1 (78.8%)Eye Dam. 1 (78.8%)Eye Irrit. 2 (19.2%)STOT SE 3 (15.4%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 22-36/38-43-44-36/37/38-20/21/22 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-37/39-45-36/37/39-22-36/ |
| 위험 참고 사항 | Irritant |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Used without prior protection of the amino group in a palladium-catalyzed cross-coupling with pyridylboronic acids leading to pyrazinylpyridines.