Phosphine, tris(3,5-dimethylphenyl)-
TRIS(3,5-DIMETHYLPH · TRI(3,5-XYLYL)PHOSPHINE · TRIS(3,5-XYLYL)PHOSPHINE · Tris(3,5-dimethylphenyl) · Trisdimethylphenylphosphine · Tri(3,5-dimethylphenyl)phosphine · tri(3,5-dimethylphenyl)phosphino · tris(3,5-dimethylphenyl)-phosphin
식별자 및 물리적 특성
| CAS No. | 69227-47-0 |
|---|---|
| 분자식 | C24H27P |
| 평균 분자량 | 346.4 g/mol |
| 단동위원소 질량 | 346.18503786 g/mol |
| SMILES | Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 |
| InChIKey | XRALRSQLQXKXKP-UHFFFAOYSA-N |
| PubChem CID | 112263 |
| EC No. | 624-162-2 |
| DTXSID | DTXSID5071969 |
화학 및 물리적 성질
| XLogP | 6.8 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 25 |
| 형식 전하 | 0 |
| 복잡도 | 327 |
| 녹는점 | 160-165 °C |
| 끓는 점 | 474.1±45.0 °C(Predicted) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 물리적 상태 | 수정 같은 |
| 색상 | 하얀색 |
| InChI | 1S/C24H27P/c1-16-7-17(2)11-22(10-16)25(23-12-18(3)8-19(4)13-23)24-14-20(5)9-21(6)15-24/h7-15H,1-6H3 |
| InChIKey | XRALRSQLQXKXKP-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)cc(c1)P(c2cc(C)cc(C)c2)c3cc(C)cc(C)c3 |
| EPA | Phosphine, tris(3,5-dimethylphenyl)- (69227-47-0) |
화학적 성질
white to light yellow crystal powde
안전 및 규제
| GHS 분류 | WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29310099 |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36/37/39-22 |
| 기존화학 물질 | KE-34807 |
| 위험 등급 | Acute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Catalyst for:Cu / diphosphine-catalyzed asymmetric hydrogenation of heteroaromatic ketones and enonesHighly selective rhodium-catalyzed hydrogenation reactionsClassical versus kinetic resolution in preparation of privileged silicon-stereogenic silanaphthalenesUsed for kinetic resolution of donor-functionalized secondary alcohols via Cu-H-catalyzed stereoselective silylation by dehydrogenative Si-O coupling with Si-stereogenic silanesUsed for comparative studies of conformational rigidity of silicon-stereogenic silanes in asymmetric catalysis