N-Methyl-N-(tert-butyldimethylsilyl)trifluoroacetamide

HCID 2724275
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Grundinformationen

CAS
77377-52-7
Standard-SMILES
CN(C(=O)C(F)(F)F)[Si](C)(C)C(C)(C)C
InChIKey
QRKUHYFDBWGLHJ-UHFFFAOYSA-N
Summenformel
C9H18F3NOSi
Durchschnittliche Molmasse
241,33 g/mol
Monoisotopische Masse
241,11097539

Überblick

N-(tert-butyldimethylsilyl)-N-methyltrifluoroacetamide is an N-silyl compound that is N-methyltrifluoroacetamide in which the amide nitrogen is replaced by a tert-butyldimethylsilyl group. It has a role as a chromatographic reagent. It is a trifluoroacetamide, a monocarboxylic acid amide and a N-silyl compound.

Namen und Bezeichner

Bevorzugter Name
N-Methyl-N-(tert-butyldimethylsilyl)trifluoroacetamide
IUPAC
N-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-methylacetamide
Englischer Name
N-(tert-Butyldimethylsilyl)-N-methyl-trifluoroacetamide
Summenformel
C9H18F3NOSi
Molmasse
241.33

Namen und Synonyme

77377-52-7MtbstfaN-(tert-Butyldimethylsilyl)-N-methyltrifluoroacetamideN-methyl-N-(tert-butyldimethylsilyl)trifluoroacetamideCHEBI:85060DTXSID50998589Acetamide, N-[(1,1-dimethylethyl)dimethylsilyl]-2,2,2-trifluoro-N-methyl-Acetamide, N-((1,1-dimethylethyl)dimethylsilyl)-2,2,2-trifluoro-N-methyl-RefChem:830615DTXCID501774885616-455-9n-(tert-butyldimethylsilyl)-n-methyl-trifluoroacetamide
Weitere Namen anzeigen
DK398tbstfaMBDSTFADKFELEX0083MTBSTFA=TBSTFAMTBSTFA AND TBDMCSDEUTERO-REGISIL-D18MTBSTFA AND TBDMSCLN-(tert-Butyldimethy
N-(tert-butyldimethylsilyl)-2,2,2-trifluoro-N-methylacetamideN-tert-Butyldimethylsilyl-N-methyltrifluoroacetamideMFCD00009671N-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-methylacetamiden-(t-butyldimethylsilyl)-n-methyltrifluoroacetamiden-methyl-n-(t-butyldimethylsilyl)trifluoroacetamideN-Methyl-N-(tert-butyldimethylsilyl)-1,1,1-trifluoroacetamideS11050

Datenbank-Bezeichner

CAS
77377-52-7
PubChem CID
2724275
DTXSID
DTXSID50998589
ChEBI
CHEBI:85060
EC Number
616-455-9
Nikkaji
J208.101F

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
20,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
2
Schwere Atome
15

Experimentelle und physikochemische Eigenschaften

Chemical ClassesMetals -> Metalloid Compounds (Silicon)
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Siedepunkt
172 · 172-175 °C(lit.)
Dichte
1.036 g/mL · 1.036 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.402(lit.)
Flammpunkt
127 °F · 127 °F
storage temp.
2 · 2-8°C
Löslichkeit
sol most aprotic organic solvents.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationN-t-Butyldimethylsilyl-N-methyltrifluoroacetamide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryReadily hydrolyzes; A skin and strong eye irritant; [Sigma-Aldrich MSDS] See N-Methyl-N-(trimethylsilyl)trifluoroacetamide. See N-Methyl-bis(trifluoroacetamide).
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

F
10-21
wgk
3
tsca
No
ridadr
UN 1993 3/PG 3
hs_code
2931 90 00
risk_code
10-36/37/38

Chemie und Industrie

Anwendungen

VerwendenN-(tert-Butyldimethylsilyl)-N-methyl-trifluoroacetamide is a silylating agent used in the derivatization of various organic compounds (such as amino acids) for gas chromatogography-mass spectrometry (GC-MS) analysis.

Darstellung

synthetischeobtained in 91% yield by reaction of N-methyl-2,2,2-trifluoroacetamide (1.0 equiv) in benzene and acetonitrile (1:1 v/v) with NaH (1.0 equiv) and then with t-BuMe2SiCl (1.2 equiv) at 4°C.

Anbieter100 Anbieter

山东玖玥生物科技有限公司15553333686
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]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: An N-silyl compound that is N-methyltrifluoroacetamide in which the amide nitrogen is replaced by a tert-butyldimethylsilyl group.

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