N-methyl-N-(trimethylsilyl)trifluoroacetamide
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기본 정보
- CAS
24589-78-4- 표준 SMILES
CN(C(=O)C(F)(F)F)[Si](C)(C)C- InChIKey
MSPCIZMDDUQPGJ-UHFFFAOYSA-N- 분자식
- C6H12F3NOSi
- 평균 분자량
- 199.25 g/mol
- 단동위원소 질량
- 199.06402519
개요
N-methyl-N-(trimethylsilyl)trifluoroacetamide is an N-silyl compound that is N-methyltrifluoroacetamide in which the amide nitrogen is replaced by a trimethylsilyl group. N-methyl-N-(trimethylsilyl)trifluoroacetamide is a derivatisation agent used in gas chromatography/mass spectrometry applications. It has a role as a chromatographic reagent. It is a trifluoroacetamide, a monocarboxylic acid amide and a N-silyl compound.
이름 및 식별자
- 우선 이름
- N-methyl-N-(trimethylsilyl)trifluoroacetamide
- IUPAC
- 2,2,2-trifluoro-N-methyl-N-trimethylsilylacetamide
- 영어명
- N-Methyl-N-(trimethylsilyl)trifluoroacetamide
- 분자식
- C6H12F3NOSi
- 분자량
- 199.25
이름 및 동의어
24589-78-4N-Methyl-N-(trimethylsilyl)trifluoroacetamideMSTFAN-Methyl-N-trimethylsilyltrifluoroacetamideACETAMIDE, 2,2,2-TRIFLUORO-N-METHYL-N-(TRIMETHYLSILYL)-DTXSID5067003CHEBI:85064N-methyl(trimethylsilyl)trifluoroacetamideRefChem:830619DTXCID5037101246-331-62,2,2-Trifluoro-N-methyl-N-(trimethylsilyl)acetamide
이름 더 보기
N-METHYL-N-TRIMETHYLSILYLTRIFLUOROACETAMIDE ACTIVATED IIIDK232M813248MSTFA MSTFAMSTFA ReagentMSTFA ACTIVATED IMSTFA+TMCS (99:1)MSTFA ACTIVATED IIMSTFA ACTIVATED III
MFCD000004112,2,2-trifluoro-N-methyl-N-trimethylsilylacetamideC6H12F3NOSiEINECS 246-331-6MSTFA; N-Methyl-N-(trimethylsilyl)trifluoroacetamideNSC 339701BRN 1941550N-METHYL-N-(TRIMETHYLSILYL)-TRIFLUOROACETAMIDE
데이터베이스 식별자
물성
구조 계산 물성보충 중
- 극성 표면적
- 20.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 184
실험 및 물리화학적 성질
Chemical ClassesMetals -> Metalloid Compounds (Silicon)
SpringerMaterials Properties29Si nuclear magnetic resonance spectrum
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 98 · 98-100°C
- 끓는 점
- 130132 °C · 130132°C
- 밀도
- 1.075 g/mL · 1.075 g/mL at 25 °C(lit.)
- 증기 밀도
- 1 · >1 (vs air)
- 증기압
- 8.8 mm · 8.8 mm Hg ( 27 °C)
- 굴절률
- 20 · n20/D 1.383
- 인화점
- 77 °F · 77 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- -1.34 · -1.34±0.70(Predicted)
- 색상
- 무색투명~연황색
- Specific Gravity
- 1.076 · 1.076
- 수용성
- 물과 반응
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 59 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Acetamide, 2,2,2-trifluoro-N-methyl-N-(trimethylsilyl)-
2,2,2-Trifluoro-N-methyl-N-(trimethylsilyl) acetamide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes decreased immune response in intraperitoneal lethal-dose studies of mice (LDLo = 1,000 mg/kg); [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See N-Methyl-N-(tert-butyldimethylsilyl)trifluoroacetamide. See N-Methyl-bis(trifluoroacetamide).
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AC9800000
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29319090
- risk_code
- 10-36/37/38-61-50/53-51/53
- hazard_code
- Xi,F,T,N
- safety_code
- 26-36-37/39-16-45-53-61
화학 및 산업
용도 및 제조
Uses
Derivatization, especially silylation, is commonly used to identify and quantify both known and unknown compounds using GC-MS. It is not limited to small molecules. Even peptides can be silylated, especially when the introduction of deuterium is desired. N-Methyl-N-(trimethylsilyl)trifluoroacetamide (MSTFA) is a very versatile reagent because it can be used to derivatize many of the functional groups commonly found in organic compounds. It operates by attachment of a nonpolar trimethylsilyl (TMS) group. [Sigma-Aldrich]
General Manufacturing InformationAcetamide, 2,2,2-trifluoro-N-methyl-N-(trimethylsilyl)-: ACTIVE
응용 분야
용도알콜, 아민, 티올 및 카르 복실 산에서 반응성 수소의 보호 그룹으로 사용됩니다. 오르 가노 실란은 수소와 유사하며, 높은 수율로 도입 될 수 있으며, 선택적 조건 하에서 제거 될 수있다. 이들은 광범위한 반응 조건에서 안정하며 다른 보호기를 포함한 다른 작용기의 존재 하에서 제거 될 수 있습니다.
용도N-Methyl-N-(trimethylsilyl)trifluoroacetamide is used as a silylating reagent that forms volatile derivatives for GC-MS analysis. It acts as a pharmaceutical intermediate and metabolite of Famprofazone in humans. It is also used in the detection of steroid hormones 17-alfa-ethynylestradiol and estrone.
일반 설명N-Methyl-N-(trimethylsilyl)trifluoroacetamide (MSTFA) is a derivatizing reagent. It can be used as alternatives to diazomethane.
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