N-メチル-N-トリメチルシリルトリフルオロアセトアミド

N-methyl-N-(trimethylsilyl)trifluoroacetamide

HCID 32510CAS 24589-78-4
部分構造検索類似構造を探す

基本情報

標準SMILES
CN(C(=O)C(F)(F)F)[Si](C)(C)C
InChIKey
MSPCIZMDDUQPGJ-UHFFFAOYSA-N
分子式
C6H12F3NOSi
平均分子量
199.25 g/mol
単同位体質量
199.06402519

概要

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.

名称と識別子

優先名称
N-methyl-N-(trimethylsilyl)trifluoroacetamide
IUPAC
2,2,2-trifluoro-N-methyl-N-trimethylsilylacetamide
現地名
N-メチル-N-トリメチルシリルトリフルオロアセトアミド
英語名
N-Methyl-N-(trimethylsilyl)trifluoroacetamide
分子式
C6H12F3NOSi
分子量
199.25

名称と別名

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
名称をさらに表示
N-メチル-N-トリメチルシリルトリフルオロアセトアミドN-メチル-N-トリメチルシリルトリフルオルアセトアミド2,2,2-トリフルオロ-N-メチル-N-(トリメチルシリル)アセトアミドN-(トリメチルシリル)-N-メチルトリフルオロアセトアミドN-(トリメチルシリル)-N-メチル-2,2,2-トリフルオロアセトアミドN-メチル-N-(トリメチルシリル)トリフルオロアセトアミドN-メチル-N-(トリメチルシリル)-2,2,2-トリフルオロアセトアミドN-メチル-N-TMS-トリフルオロアセトアミドN‐メチル‐N‐(トリメチルシリル)トリフルオロアセトアミド2,2,2-トリフルオロ-N-メチル-N-トリメチルシリルアセトアミドN-METHYL-N-(TRIMETHYLSILYL) TRIFLUOROACETAMIDEN-メチル-N-(トリメチルシリル)トリフルオロアセトアミド (1% トリメチルクロロシラン含有)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

データベース識別子

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

物性

構造計算による物性

極性表面積
20.3 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
1
重原子数
12

実験および物理化学的性質

Chemical ClassesMetals -> Metalloid Compounds (Silicon)
SpringerMaterials Properties29Si nuclear magnetic resonance spectrum
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点
98 · 98-100°C
沸点
130132 °C · 130132°C
比重(密度)
1.075 g/mL · 1.075 g/mL at 25 °C(lit.)
蒸気密度
1 · >1 (vs air)
蒸気圧
8.8 mm · 8.8 mm Hg ( 27 °C)
屈折率
20 · n20/D 1.383

化学的性質

化学的特性Clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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 · 1 件

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%)

安全データ

F
10-21
wgk
3
tsca
TSCA listed
rtecs
AC9800000
ridadr
UN 1993 3/PG 3
hs_code
29319090

化学と産業

用途と製造

Uses · 1 件

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
応用分野 · 2 件

使用N-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.

一般的な説明N-Methyl-N-(trimethylsilyl)trifluoroacetamide (MSTFA) is a derivatizing reagent. It can be used as alternatives to diazomethane.

調製方法 · 1 件

純化方法Fractionate the amide through a 40mm Vigreux column (p 11). Usually it contains ca 1% of methyl trifluoroacetamide and 1% of other impurities which can be removed by gas chromatography or fractionating using a spinning band column. [Donike J Chromatogr 42 103 1969, Donike J Chromatogr 103 91 1975, Beilstein 4 IV 4011.]

上流・下流製品情報

サプライヤー50 社

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]
補足説明 · 1 件

定義ChEBI: 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.

関連反応

53 件
反応記録を作成

関連ノート

読み込み中…