Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
삼불화붕소테트라하이드로푸란착물
삼불화붕소테트라하이드로푸란착물 · trifluoro(tetrahydrofuran)boron · Boron trifluoride tetrahydrofuran complex,50% · Boron trifL · JACS-462-34-0 · Boron Trifluoride in THF · Trifluor(tetrahydrofuran)bor · Borontrifluoride THF coMplex
식별자 및 물리적 특성
| CAS No. | 462-34-0 |
|---|---|
| 분자식 | C4H8BF3O |
| 평균 분자량 | 139.91 g/mol |
| SMILES | C1CCOC1.FB(F)F |
| InChIKey | CHNLPLHJUPMEOI-UHFFFAOYSA-N |
| PubChem CID | 71088 |
| EC No. | 207-325-9 |
| 현지명 | 삼불화붕소테트라하이드로푸란착물 |
화학 및 물리적 성질
| 극성 표면적 | 9.2 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 30.8 |
| 물질 분류 | Metals -> Metalloid Compounds (Boron) |
| Physical Description | Yellow liquid[Sigma-Aldrich MSDS] |
| 녹는점 | 11-13 °C (lit.) |
| 끓는 점 | 180 °C (lit.) |
| 밀도 | 1.268 g/mL at 25 °C (lit.) |
| 증기압 | 11Pa |
| 인화점 | 198 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 디메틸 포름아미드와 혼합 가능. |
| 물리적 상태 | liquid |
| 폭발한계 | 2.3-17.7%(V) |
| 용해도 | 가수 분해 |
| InChI | InChI=1S/C4H8BF3O/c6-5(7,8)9-3-1-2-4-9/h1-4H2 |
| InChIKey | XYMZNNGTHKHCJH-UHFFFAOYSA-N |
| SMILES | [B+3](O1CCCC1)([F-])([F-])[F-] |
| EPA | Boron, trifluoro(tetrahydrofuran)-, (T-4)- (462-34-0) |
화학적 성질
Colorless to light yellow liqui
안전 및 규제
| GHS 분류 | DangerH302 (33.5%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 224 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 05-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11415Boron, trifluoro(tetrahydrofuran)-, (T-4)-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes burnsProlonged or repeated inhalation exposure may cause kidney injury[ECHA REACH Registrations] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsTargets the nerves, liver, and teeth[Sigma-Aldrich MSDS] See Boron trifluoride dihydrate. See Tetrahydrofuran. |
| Hazard Classes and Categories | Acute Tox. 4 (33.5%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 관세 코드 | 29321900 |
| 위험 문구(R) | 34-48/23-35-20/22 |
| 위험 표시 | C,T |
| 안전 문구(S) | 26-27-36/37/39-45-28A-23-28 |
| 포장분류 | II |
| 위험 등급 | 8Acute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Skin Corr. 1BSTOT RE 1 Inhalation |
| 기존화학 물질 | KE-34266 |
| 위험 참고 사항 | Toxic/Corrosive |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
Reactant or reagent involved in:Deoxofluorination of alcohols and carbonylsSynthesis of methacrylate-PEG-methacrylate-boron trifluoride self-doped gel polymer electrolytesHydroboration-oxidation of divinylferroceneReagent involved in the synthesis of biologically active molecules such as: NK1 receptor antagonists Complex polyketide natural productsSelective serotonin reuptake inhibitors