Bis(trimethylsilyl)trifluoroacetamide
BSTFA · N,O-BIS(TRIMETHYLSILYL)TRIFLUOROACETAMIDE · N,O-BSTFA · Trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)acetimidate · N,O-Bis(Trimethylsilyl) · N,N-BIS(TRIMETHYLSILYL)TRIFLUOROACETAMIDE · N,0-Bis(trimethylsilyl)trifluoroacetamide · N.O-Bis(trimethylsilyl)trifluoro acetamide (BSTFA)
식별자 및 물리적 특성
| CAS No. | 25561-30-2 |
|---|---|
| 분자식 | C8H18F3NOSi2 |
| 평균 분자량 | 257.4 g/mol |
| 단동위원소 질량 | 257.08790192 g/mol |
| SMILES | C[Si](C)(C)N=C(O[Si](C)(C)C)C(F)(F)F |
| InChIKey | XCOBLONWWXQEBS-UHFFFAOYSA-N |
| PubChem CID | 94358 |
| EC No. | 247-103-9 |
| DTXSID | DTXSID001015789 |
화학 및 물리적 성질
| 극성 표면적 | 21.6 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 250 |
| 물질 분류 | Metals -> Metalloid Compounds (Silicon) |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| SpringerMaterials Properties | 29Si nuclear magnetic resonance spectrum |
| Physical Description | Colorless liquid[Sigma-Aldrich MSDS] |
| 녹는점 | -10°C |
| 끓는 점 | 45-50 °C14 mm Hg(lit.) |
| 밀도 | 0.97 g/mL(lit.) |
| 굴절률 | n20/D 1.384(lit.) |
| 인화점 | 75 °C |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름과 혼합 가능. |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 1.82±0.50(Predicted) |
| 비중 | 0.971 |
| 색상 | 무색~담황색 |
| 용해도 | 가수분해 |
| BRN | 3607620 |
| 안정성 | 수분에 민감한 |
| InChI | 1S/C8H18F3NOSi2/c1-14(2,3)12-7(8(9,10)11)13-15(4,5)6/h1-6H3/b12-7+ |
| InChIKey | XCOBLONWWXQEBS-KPKJPENVSA-N |
| SMILES | C[Si](C)(C)O\C(=N\[Si](C)(C)C)C(F)(F)F |
| NIST | Bis(trimethylsilyl)trifluoroacetamide(25561-30-2) |
화학적 성질
Clear to yellowish clear liquid
안전 및 규제
| GHS 분류 | DangerH225 (56.7%): 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+P351+P338, P305+P354+P338, P316, 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 67 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 23-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21964Bis(trimethylsilyl)trifluoroacetamide: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Readily hydrolyzesCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Flam. Liq. 2 (56.7%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | Yes |
| 운송 번호(UN) | UN 2924 3/PG 3 |
| 관세 코드 | 29310095 |
| 위험 문구(R) | 11-34-10-35-14 |
| 위험 표시 | C,F,T |
| 안전 문구(S) | 26-36/37/39-45-16 |
| 포장분류 | III |
| 위험 등급 | 3Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1A |
| F 고인화성물질 | 10-21 |
| 위험 참고 사항 | Flammable/Moisture Sensitive |
| 저장 분류 |
용도
용도
N,O-Bis(trimethylsilyl)trifluoroacetamide is used for analytical purposes or as a chemical reagent for synthesis of more complex molecules. It is silylation reagent useful in GC and GC-MS for the derivatization of a wide range of functional groups under mild conditions. It is also used as DAT inhibitor and a SLC6A2 inhibitor. It is routinely used to derivatize carboxylic acids, phenols, steroids, amines, alcohols, and alkaloids and amides.
일반 설명
Bis(trimethylsilyl)trifluoroacetamide with trimethylchlorosilane has found application to be used in gas chromatography (GC) and mass-spectrometry (MS). It can also be used in HPLC- electrochemical detection assay of 8-oxo-deoxyguanosine and8-oxo-guanine.