Trimethylboroxine
2,4,6-triMethyl-1,3,5,2,4,6-trioxatriborinane · Trimethylcyclotriboroxane · 2,4,6-Trimethylboroxin · 2,4,6-Tr · METHYLBOROXIN · TRIMETHYLBOROXINE · trimethylboroxin, · TRIMEETHYLBOROXINE
식별자 및 물리적 특성
| CAS No. | 823-96-1 |
|---|---|
| 분자식 | C3H9B3O3 |
| 평균 분자량 | 125.5 g/mol |
| 단동위원소 질량 | 126.08308535 g/mol |
| SMILES | CB1OB(C)OB(C)O1 |
| InChIKey | GBBSAMQTQCPOBF-UHFFFAOYSA-N |
| PubChem CID | 574072 |
| EC No. | 617-330-1 |
| DTXSID | DTXSID90341570 |
화학 및 물리적 성질
| 극성 표면적 | 27.7 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 69.3 |
| 녹는점 | −38 °C(lit.) |
| 끓는 점 | 78-80 °C(lit.) |
| 밀도 | 0.898 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.362(lit.) |
| 인화점 | 16 °F |
| 저장 조건 | Flammables area |
| 용해도 | Chloroform (Sparingly), Dichloromethane (Slightly), THF (Soluble) |
| 물리적 상태 | 액체 |
| 색상 | 무색~황색 |
| 용해도 | 물과 섞이지 않습니다. |
| BRN | 1757008 |
| InChI | 1S/C3H9B3O3/c1-4-7-5(2)9-6(3)8-4/h1-3H3 |
| InChIKey | GBBSAMQTQCPOBF-UHFFFAOYSA-N |
| SMILES | Cb1ob(C)ob(C)o1 |
화학적 성질
colorless to yellow solution
안전 및 규제
| GHS 분류 | DangerH225 (30.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+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 152 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (30.3%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | Yes |
| 운송 번호(UN) | UN 2924 3/PG 2 |
| 관세 코드 | 29319090 |
| 위험 문구(R) | 11-34-41-37/38-19 |
| 위험 표시 | F,C,Xi |
| 안전 문구(S) | 9-16-26-33-36/37/39-45-46-37/39-3 |
| 포장분류 | II |
| 위험 등급 | 3.1Flam. Liq. 2Skin Corr. 1B |
| F 고인화성물질 | 2-10-21 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Trimethylboroxine is used as a derivatizing agent for GLC analysis. It is used in a diverse array of areas, including as a polymerization additive. It is also used in the preparation of CBS catalysts for asymmetric reductions.
제조 및 합성 방법
제조 방법
Trimethylboroxine is prepared by heating B(CH3)3 and B2O3 together in a sealed tube. The B2O3 powder is made by dehydrating H3BO3 under vacuum over P2O5 , at 220℃. The very hygro-scopic oxide is placed with strict exclusion of moisture in a 200-ml. thick-wall Pyrex tube provided with a ground joint, and a melting-point capillary is fastened to the tube just below the joint. The tube is connected to a vacuum pump and immersed in liquid nitrogen, and when a high vacuum has been established, a quantity of B(CH3)3 equivalent to 4.25 g. (0.061 mole) of B2O3 is condensed in the tube. The tube is sealed off, heated to 600℃ and kept at this temperature for six hours; in the process the contents turn into a clear, colorless liquid. When the tube has cooled down, the tip is broken under a nitrogen blanket and sealed to a tube leading to the vacuum pump. The tube is evacuated and the contents of the tube are transferred into a -78℃ trap. The crude product is purified by removing volatile contaminants at -45℃ and then distilling the product from a -10℃ trap into a receiver held at -78℃.