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기본 정보
- CAS
25561-30-2- 표준 SMILES
C[Si](C)(C)/N=C(/O[Si](C)(C)C)C(F)(F)F- InChIKey
XCOBLONWWXQEBS-KPKJPENVSA-N- 분자식
- C8H18F3NOSi2
- 평균 분자량
- 257.4 g/mol
- 단동위원소 질량
- 257.08790175
이름 및 식별자
- 우선 이름
- trimethylsilyl (1E)-2,2,2-trifluoro-N-trimethylsilylethanimidate
- IUPAC
- trimethylsilyl (1E)-2,2,2-trifluoro-N-trimethylsilylethanimidate
- 영어명
- Bis(trimethylsilyl)trifluoroacetamide
- 분자식
- C8H18F3NOSi2
- 분자량
- 257.4
이름 및 동의어
MFCD00008269N,0-bis(trimethylsilyl)trifluoroacetamideN,O-BSTFAS02825C8H18F3NOSi2trimethylsilyl (1Z)-2,2,2-trifluoro-N-trimethylsilylethanimidatetrimethylsilyl (1E)-2,2,2-trifluoro-N-trimethylsilylethanimidateTrimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)ethanimidateTrimethylsilyl (E)-2,2,2-trifluoro-N-(trimethylsilyl)acetimidateN,O-Bis(trimethylsilyl)trifluoroacetamide with trimethylchlorosilaneNSC379423AKOS005063571
이름 더 보기
BSTFAN,O-BIS(TRIMETHYLSILYL)TRIFLUOROACETAMIDETrimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)acetimidateN,O-Bis(Trimethylsilyl)N,N-BIS(TRIMETHYLSILYL)TRIFLUOROACETAMIDEN.O-Bis(trimethylsilyl)trifluoro acetamide (BSTFA)
CCG-267034NSC-379423BS-16786HY-123798CS-0085821N,O-Bis(trimethylsilyl)trifluoroacetamide, >=99%N,O-Bis(trimethylsilyl)trifluoroacetamide in AmpulesN,O-Bis(trimethylsilyl)trifluoroacetamide with 10% TMCS
데이터베이스 식별자
- CAS
25561-30-2- PubChem CID
- 5366669
- ChEBI
CHEBI:85067
물성
구조 계산 물성보충 중
- 극성 표면적
- 21.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 250
물리화학적 성질
- 녹는점
- -10 °C · -10°C
- 끓는 점
- 45 · 45-50 °C14 mm Hg(lit.)
- 밀도
- 0.97 g/mL · 0.97 g/mL(lit.)
- 굴절률
- 20 · n20/D 1.384(lit.)
- 인화점
- 75 °C · 75 °C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름과 혼합 가능.
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 1.82 · 1.82±0.50(Predicted)
- Specific Gravity
- 0.971 · 0.971
- 색상
- 무색~담황색
- 수용성
- 가수분해
- BRN
- 3607620 · 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- tsca
- Yes
- ridadr
- UN 2924 3/PG 3
- HS 번호
- 29310095
- risk_code
- 11-34-10-35-14
- hazard_code
- C,F,T
- safety_code
- 26-36/37/39-45-16
- 포장분류
- III
- 위험 등급
- 3
- F 고인화성물질
- 10-21
- 위험 참고 사항
- Flammable/Moisture Sensitive
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1A
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도N,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 설명Bis(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.
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추가 설명
정의ChEBI: A silyl ether that is the N,O-bis(trimethylsilyl) derivative of trifluoroacetamide. N,O-bis(trimethylsilyl)trifluoroacetamide is a derivatisation agent used in gas chromatography/m ss spectrometry applications.
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