6-Chloro-3-nitropyridin-2-ylamine
6-CHLORO-3-NITROPYRIDIN-2-AMINE · LABOTEST-BB LT00012599 · 2-Amino-6-chloro-3-nitrop... · 2-amino-3-nitrochloropyridine · 6-Chlor-3-nitropyridin-2-amin · 2-Amino-3-nitro-6-chloropyridi · 2-Amino-6-chloro-nitro pyridne · 2-Amino-6-chlor-3-nitropyridin
식별자 및 물리적 특성
| CAS No. | 27048-04-0 |
|---|---|
| 분자식 | C5H4ClN3O2 |
| 평균 분자량 | 173.56 g/mol |
| 단동위원소 질량 | 172.99920405 g/mol |
| SMILES | Nc1nc(Cl)ccc1[N+](=O)[O-] |
| InChIKey | WERABQRUGJIMKQ-UHFFFAOYSA-N |
| PubChem CID | 2724035 |
| EC No. | 248-188-5 |
| DTXSID | DTXSID40181524 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 84.7 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 160 |
| 녹는점 | 195-196 |
| 끓는 점 | 339.9±37.0 °C(Predicted) |
| 밀도 | 1.596±0.06 g/cm3(Predicted) |
| 저장 조건 | Keep in dark place,Inert atmosphere,2-8°C |
| 용해도 | 클로로포름, DMSO 에 용해됨 |
| 물리적 상태 | 수정 같은 |
| pKa(산도 계수) | -1.69±0.50(Predicted) |
| 색상 | 노란색 |
| 용해도 | 물에 약간 용해됩니다. 디메틸설폭사이드와 클로로포름에 용해됩니다. |
| InChI | InChI=1S/C5H4ClN3O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H,(H2,7,8) |
| InChIKey | WERABQRUGJIMKQ-UHFFFAOYSA-N |
| SMILES | C1(N)=NC(Cl)=CC=C1[N+]([O-])=O |
화학적 성질
YELLOW POWDER
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 5.3% (1 of 19) of reports.WarningH302 (21.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 19 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 15-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23183 |
| Hazard Classes and Categories | Acute Tox. 4 (21.1%) |
| 운송 번호(UN) | 2811 |
| 관세 코드 | 29333999 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-26-36/37/39 |
| 포장분류 | Ⅲ |
| 위험 등급 | 6.1 |
| 위험 참고 사항 | Irritant |
용도
개요
2-Amino-6-chloro-3-nitropyridine is a cytotoxic drug that has been shown to have anti-viral potency, as well as antiviral activity in an activity test. It is synthesized by reacting hydrogen tartrate with oxadiazole, and then hydrolyzing the resulting product with chloride. 2-Amino-6-chloro-3-nitropyridine has also been shown to inhibit human immunodeficiency virus type 1 (HIV) replication in vitro and to be effective against other viruses such as type 2 influenza. This drug can bind to the viral envelope and inhibit fusion of the viral membrane with host cells by preventing the release of viral contents into the cytoplasm. The binding affinity of 2-amino 6-chloro 3 nitropyridine for chloride may be due to hydrogen bonding interactions.
용도
It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.