2,6-디클로로피리딘
2,6-디클로로피리딘 · 26DCLPY · AURORA KA-6495 · Pyridine, 2,6-dichloro- · 2,6-DichL · oropyridine · AKOS BBS-00004314 · 2,6-Dichloropyridinr
식별자 및 물리적 특성
| CAS No. | 2402-78-0 |
|---|---|
| 분자식 | C5H3Cl2N |
| 평균 분자량 | 147.99 g/mol |
| 단동위원소 질량 | 146.9642545 g/mol |
| SMILES | Clc1cccc(Cl)n1 |
| InChIKey | FILKGCRCWDMBKA-UHFFFAOYSA-N |
| PubChem CID | 16989 |
| ChEMBL | CHEMBL3561947 |
| EC No. | 219-282-3 |
| DTXSID | DTXSID2051895 |
| 현지명 | 2,6-디클로로피리딘 |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 극성 표면적 | 12.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 68 |
| Physical Description | Wet SolidWhite crystalline solid[Alfa Aesar MSDS] |
| 녹는점 | 83-86 °C (lit.) |
| 끓는 점 | 211 °C |
| 밀도 | 1.5159 (rough estimate) |
| 굴절률 | 1.5500 (estimate) |
| 인화점 | 110°C |
| 저장 조건 | Inert atmosphere,2-8°C |
| 용해도 | 메탄올: 50mg/mL, 투명 |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | -3.02±0.10(Predicted) |
| 색상 | 흰색에서 분홍색 또는 회백색 |
| pH | 6-7 (H2O, 20℃)(saturated solution) |
| 용해도 | <1g/L(20℃) |
| BRN | 108664 |
| InChI | 1S/C5H3Cl2N/c6-4-2-1-3-5(7)8-4/h1-3H |
| InChIKey | FILKGCRCWDMBKA-UHFFFAOYSA-N |
| SMILES | Clc1cccc(Cl)n1 |
| NIST | Pyridine, 2,6-dichloro-(2402-78-0) |
| EPA | 2,6-Dichloropyridine (2402-78-0) |
화학적 성질
White to light yellow solid
안전 및 규제
| GHS 분류 | DangerH301 (96.6%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (15.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (15.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (12.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 58 reports by companies from 7 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. |
|---|---|
| 규제 정보 | Pyridine, 2,6-dichloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2,6-dichloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Pyridine, 2,6-dichloro-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes somnolence and fatty liver degeneration in intraperitoneal lethal-dose studies of mice[RTECS] An irritantToxic by ingestion[Alfa Aesar MSDS] See Pyridine. |
| Hazard Classes and Categories | Acute Tox. 3 (96.6%)Skin Irrit. 2 (15.5%)Eye Irrit. 2A (15.5%)STOT SE 3 (12.1%) |
| 유해 작용 | Neurotoxin - Other CNS neurotoxinOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| 수질 위해 등급(WGK) | 3 |
용도
개요
2,6-Dichloropyridine is an important intermediate that is widely used in the medicine and pesticide research field. It could be used as a starting material to synthesize the pirozadil (Pirozadil) which can be used for reducing blood-fat, and antiplatelet condensation. 2,6-dichloropyridine also can be used to synthetic musk pyridine with alternative natural musk. 2,3,5, 6-TCP produced by further chlorination of 2, 6-dichloropyridine is an important raw material for chlorpyrifos, which is widely used in the world with high efficiency, broad spectrum, and low residue.
용도
2,6-Dichloropyridine is used in the preparation of triazolo and imidazo potassium channel antagonists as antiarrythmic agents.