3-Chloro-6-phenylpyridazine
3-Chloro-6-phenylpyridazine · 6-Chloro-3-phenylpyridazine · 3-Phenyl-6-chloropyridazine · 6-Phenyl-3-chloropyridazine · Pyridazine,3-chloro-6-phenyl- · 3-Chloro-6-phenylpyridazine97% · 3-Chloro-6-phenylpyridazine 97% · JR-8838, 3-Chloro-6-phenylpyridazine, 97%
식별자 및 물리적 특성
| CAS No. | 20375-65-9 |
|---|---|
| 분자식 | C10H7ClN2 |
| 평균 분자량 | 190.63 g/mol |
| 단동위원소 질량 | 190.0297759 g/mol |
| SMILES | Clc1ccc(-c2ccccc2)nn1 |
| InChIKey | BUBRFWDEAVIFMV-UHFFFAOYSA-N |
| PubChem CID | 88515 |
| ChEMBL | CHEMBL1874651 |
| EC No. | 243-772-6 |
| DTXSID | DTXSID10174302 |
화학 및 물리적 성질
| XLogP | 2.5 |
|---|---|
| 극성 표면적 | 25.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 157 |
| 용해도 | 10.3 [ug/mL] (The mean of the results at pH 7.4)클로로포름 (소량), 메탄올 (소량, 가열)에 용해 |
| 녹는점 | 159-161 °C (lit.) |
| 끓는 점 | 375.0±22.0 °C(Predicted) |
| 밀도 | 1.245±0.06 g/cm3(Predicted) |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 0.42±0.10(Predicted) |
| 색상 | 연한 갈색 |
| InChI | 1S/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H |
| InChIKey | BUBRFWDEAVIFMV-UHFFFAOYSA-N |
| SMILES | Clc1ccc(nn1)-c2ccccc2 |
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 2933998090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39 |
| 위험 참고 사항 | Irritant |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
3-Chloro-6-phenylpyridazine may be used in the synthesis of 6-substituted phenyl-2-(3í-substituted phenylpyridazin-6í-yl)-2,3,4,5-tetrahydropyridazin-3-ones.
일반 설명
3-Chloro-6-phenylpyridazine is an heteroaromatic compound and is investigated by cyclic voltammetry and preparative scale electrolysis in the presence and absence of carbon dioxide. Fluorination of 3-chloro-6-phenylpyridazine with KF under solvent-free conditions in the presence of a phase transfer agent, with or without microwave irradiation is reported.