Tris(trimethylsilyl) phosphate
Silanol, trimethyl-, phosphate (3:1) · TRIS(TRIMETHYLSILYL) PHOSPHATE · Phosphoric acid, TMS · TRIS(TRIMETHYSILYL)PHOSPHATE · Silanol,trimethyl-,phosphate(3:1) · DK028 · TIMTEC-BB SBB001292 · Phosphoric acid, triTMS
식별자 및 물리적 특성
| CAS No. | 10497-05-9 |
|---|---|
| 분자식 | C9H27O4PSi3 |
| 평균 분자량 | 314.54 g/mol |
| 단동위원소 질량 | 314.09547594 g/mol |
| SMILES | C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C |
| InChIKey | QJMMCGKXBZVAEI-UHFFFAOYSA-N |
| PubChem CID | 25317 |
| ChEBI | CHEBI:144345 |
| EC No. | 234-028-1 |
| DTXSID | DTXSID60909282 |
화학 및 물리적 성질
| 극성 표면적 | 44.8 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 253 |
| SpringerMaterials Properties | 29Si nuclear magnetic resonance spectrum |
| 녹는점 | 3-4 °C (lit.) |
| 끓는 점 | 228-229 °C/720 mmHg (lit.) |
| 밀도 | 0.945 g/mL at 25 °C (lit.) |
| 증기압 | 23.3hPa at 20℃ |
| 굴절률 | n20/D 1.409(lit.) |
| 인화점 | 76 °F |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa(산도 계수) | 23-25(at 25℃) |
| 물리적 상태 | 액체 |
| 비중 | 0.959 |
| 색상 | Colorless to Light yellow to Light orange |
| 용해도 | 935.5μg/L at 20℃ |
| BRN | 1794624 |
| InChI | 1S/C9H27O4PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3 |
| InChIKey | QJMMCGKXBZVAEI-UHFFFAOYSA-N |
| SMILES | C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C |
| LogP(분배 계수) | 4.72 at 20℃ |
| EPA | Silanol, trimethyl-, phosphate (3:1) (10497-05-9) |
화학적 성질
Colorless liquid
안전 및 규제
| GHS 분류 | DangerH225 (41.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 106 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | REACH registered substance: Tris(trimethylsilyl) phosphate (EC: 234-028-1) |
| Hazard Classes and Categories | Flam. Liq. 2 (41.5%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | TC9700000 |
| 운송 번호(UN) | UN 1993 3/PG 2 |
| 관세 코드 | 2931.90.9010 |
| 위험 문구(R) | 11-36/37/38 |
| 위험 표시 | F,Xi |
| 안전 문구(S) | 16-26-36 |
| 포장분류 | III |
| 위험 등급 | 3.2Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| 기존화학 물질 | 2015-3-7149 |
| F 고인화성물질 | 10-21 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Tris(trimethylsilyl) phosphite (TMSPi) is a film-forming additive for high voltage cathode material in lithium-ion batteries. Tris (trimethylsilyl) phosphate is cleaved by alkali-metal fluorides, nitrates, and acetates at give the trimethylsilyl esters of the corresponding acids.
일반 설명
Tris(trimethylsilyl) phosphate has been investigated as a novel film-forming additive for LiNi0.5Co0.2Mn0.3O2 cycling at high cut-off potential in LiPF6-based electrolyte. Tris(trimethylsilyl) phosphate [Tris(trimethylsilyl) ester of phosphoric acid] undergoes dealkylsilylation reaction with alumazene to yield heteroadamantane molecule.
제조 및 합성 방법
제조 방법
Tris(trimethylsilyl)phosphine is prepared by treating trimethylsilyl chloride, white phosphorus, and sodium-potassium alloy: 1/4 P4 + 3 Me3SiCl + 3 K → P(SiMe3)3 + 3 KCl