N-methyl-N-(trimethylsilyl)trifluoroacetamide

HCID 32510CAS 24589-78-4
부분 구조 검색유사 구조 찾기

기본 정보

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

CAS
24589-78-4
PubChem CID
32510
DTXSID
DTXSID5067003
ChEBI
CHEBI:85064
EC Number
246-331-6
Nikkaji
J54.125G

물성

구조 계산 물성

극성 표면적
20.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
12

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

화학적 성질

Clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 2건

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 · 1건

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

화학 및 산업

용도 및 제조

Uses · 1건

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 · 3건

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.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
추가 설명 · 1건

정의ChEBI: 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 derivat sation agent used in gas chromatography/mass spectrometry applications.

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