Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-클로로-4-이소프로폭시페닐보론산
3-클로로-4-이소프로폭시페닐보론산 · 3-Chloro-4-isopropoxybenzeneboronic acid · [3-chloro-4-(propan-2-yloxy)phenyl]boronic acid · 3-Chloro-4-(1-methylethyl)oxyphenylboronic acid · (3-Chloro-4-isopropoxyphenyl)boronic acid - [C2206] · Boronic acid, B-[3-chloro-4-(1-methylethoxy)phenyl]- · Boronic acid, [3-chloro-4-(1-methylethoxy)phenyl]- (9CI)
식별자 및 물리적 특성
| CAS No. | 480438-56-0 |
|---|---|
| 분자식 | C9H12BClO3 |
| 평균 분자량 | 214.457 g/mol |
| 단동위원소 질량 | 214.05680232 g/mol |
| SMILES | CC(C)Oc1ccc(B(O)O)cc1Cl |
| InChIKey | PJBWTULFEPFOEB-UHFFFAOYSA-N |
| PubChem CID | 3382467 |
| EC No. | 895-319-2 |
| DTXSID | DTXSID40391969 |
| 현지명 | 3-클로로-4-이소프로폭시페닐보론산 |
화학 및 물리적 성질
| 녹는점 | 140-145 °C(lit.) |
|---|---|
| 끓는 점 | 357.1±52.0 °C(Predicted) |
| 밀도 | 1.23±0.1 g/cm3(Predicted) |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa(산도 계수) | 7.75±0.18(Predicted) |
| InChI | InChI=1S/C9H12BClO3/c1-6(2)14-9-4-3-7(10(12)13)5-8(9)11/h3-6,12-13H,1-2H3 |
| InChIKey | PJBWTULFEPFOEB-UHFFFAOYSA-N |
| SMILES | B(C1=CC=C(OC(C)C)C(Cl)=C1)(O)O |
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| 관세 코드 | 2931900090 |
용도
용도
Reactant for:• ;Preparation of alkyl- and aryl quinones via silver nitrate-catalyzed coupling with quinones1• ;Rhodium-catalyzed asymmetric arylation of alkenylheterocycles2• ;Stereoselective and regioselective rhodium-catalyzed carbometalation of ynamides3