3,5-Dibromopyridine
NSC 6209 · 3,5-Dibrompyridin · IFLAB-BB F1995-0190 · 3,5-DIBROMOPYRIDINE · 3,5-dibormopyridine · TIMTEC-BB SBB003237 · Pyridine, 3,5-dibromo- · 3,5-Dibromopyridine>Perampanel Impurity 12
식별자 및 물리적 특성
| CAS No. | 625-92-3 |
|---|---|
| 분자식 | C5H3Br2N |
| 평균 분자량 | 236.89 g/mol |
| 단동위원소 질량 | 234.86322 g/mol |
| SMILES | Brc1cncc(Br)c1 |
| InChIKey | SOSPMXMEOFGPIM-UHFFFAOYSA-N |
| PubChem CID | 69369 |
| ChEBI | CHEBI:51593 |
| EC No. | 210-916-4 |
| DTXSID | DTXSID3073921 |
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 |
| 녹는점 | 110-115 °C (lit.) |
| 끓는 점 | 222 °C |
| 밀도 | 2.0383 (rough estimate) |
| 굴절률 | 1.5800 (estimate) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | DMSO(약간 용해됨, 가열), 메탄올(약간 용해됨) |
| pKa(산도 계수) | 0.52±0.20(Predicted) |
| 물리적 상태 | 바늘 같은 수정 |
| 색상 | 흰색~밝은 베이지 |
| 용해도 | 클로로포름과 메탄올에 용해됩니다. 물에 불용성. |
| BRN | 108477 |
| InChI | 1S/C5H3Br2N/c6-4-1-5(7)3-8-2-4/h1-3H |
| InChIKey | SOSPMXMEOFGPIM-UHFFFAOYSA-N |
| SMILES | Brc1cncc(Br)c1 |
| NIST | 3,5-Dibromopyridine(625-92-3) |
| EPA | 3,5-Dibromopyridine (625-92-3) |
화학적 성질
Light-Yellow Solid
안전 및 규제
| GHS 분류 | WarningH302 (18.9%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (15.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (15.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (96.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 53 reports by companies from 10 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 | 3,5-Dibromopyridine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (18.9%)Acute Tox. 4 (15.1%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (96.2%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN2811 |
| 관세 코드 | 29333999 |
| 위험 문구(R) | 36/37/38-20/21/22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-36-36/37/39 |
| 위험 등급 | IRRITANTEye Irrit. 2Skin Irrit. 2 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
3-Acetylamino-5-ethoxypyridine was prepared by converting 3, 5-dibromopyridine with sodium ethylate into 3-bromo-5-ethoxypyridine, allowing this substance to interact with ammonia and acetylating the aminoethoxypyridine thus formed with acetic anhydride. Lithiation of 3, 5-dibromopyridine with LDA and subsequent reaction with electrophiles provided 4-alkyl-3, 5-dibromopyridines 2 in high yield. Ligand was prepared by a Pd(0)-catalyzed cross-coupling reaction of 3,5-dibromopyridine and 5-tributylstannyl-3,3-bipyridine. The synthesis of 3, 5-bis (2-indolyl) pyridine and 3-[(2-indolyl)-5-phenyl] pyridine derivatives as includes Stille or Suzuki type reactions, which were realized on the 3,5-dibromopyridine.
일반 설명
3,5-Dibromopyridine undergoes lithiation with lithium diisopropylamide and on subsequent reaction with electrophiles yields 4-alkyl-3,5-dibromopyridines.