Bis(trimethylsilyl) malonate
Malonic acid (tms) · Malonic acid, bis-TMS · BIS(TRIMETHYLSILYL) MALONATE · Bis(trimethylsilyl) malonate,98% · Bis(trimethylsilyl) Malonate >bis(trimethylsilyl) propanedioate · Bis(triMethylsilyl) Malonate, 98% 50GR · Malonic acid, di(trimethylsilyl) ester · MALONIC ACID BIS(TRIMETHYLSILYL) ESTER
식별자 및 물리적 특성
| CAS No. | 18457-04-0 |
|---|---|
| 분자식 | C9H20O4Si2 |
| 평균 분자량 | 248.42 g/mol |
| 단동위원소 질량 | 248.09001218 g/mol |
| SMILES | C[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C |
| InChIKey | ATCKJLDGNXGLAO-UHFFFAOYSA-N |
| PubChem CID | 87656 |
| EC No. | 242-342-5 |
| DTXSID | DTXSID30171590 |
화학 및 물리적 성질
| 극성 표면적 | 52.6 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 224 |
| Kovats Retention Index | 11901201119611971200117411981210.6116112151217.812051216122112111214 |
| 녹는점 | 56 °C |
| 끓는 점 | 63-66 °C/1 mmHg (lit.) |
| 밀도 | 0.974 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.416(lit.) |
| 인화점 | 75 °F |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 12.18±0.46(Predicted) |
| 색상 | 무색투명~연노랑 |
| 비중 | 0.97 |
| BRN | 2212115 |
| InChI | 1S/C9H20O4Si2/c1-14(2,3)12-8(10)7-9(11)13-15(4,5)6/h7H2,1-6H3 |
| InChIKey | ATCKJLDGNXGLAO-UHFFFAOYSA-N |
| SMILES | C[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C |
화학적 성질
clear colorless to straw colored liquid
안전 및 규제
| GHS 분류 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.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. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | No |
| 운송 번호(UN) | UN 3272 3/PG 2 |
| 관세 코드 | 29319090 |
| 위험 문구(R) | 11 |
| 위험 표시 | F |
| 안전 문구(S) | 16 |
| 포장분류 | III |
| 위험 등급 | 3.2Flam. Liq. 3 |
| F 고인화성물질 | 10-21 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Bis(trimethylsilyl) malonate was used as cyclocondensation agent in cyclocondensation reactions. It was also used in the preparation of β-keto acids and methyl ketones.
일반 설명
Bis(trimethylsilyl) malonate is precursor for metal-organic chemical vapor deposition (MOCVD) of HfO2 and ZrO2 thin films. It undergoes acylation reaction with acid chlorides and acyl carbonates in the presence of triethylamine and magnesium or lithium salts to give β-keto acids or methyl ketones.