2,2,2-Trifluor-N-methyl-N-(trifluoracetyl)acetamid

MBTFA · N-Methylbis(Tr · [Trifluoroacylating Agent] · Florists Sendranthema Extract · N-Methylbistrifluororacetamide · N-METHYLBIS(TRIFLUOROACETAMIDE) · N-Methylbis(trifluoroacetyl)amine · N-Methylbis(trifluoroacetyl)imide

https://huagongshe.com/de/chemical/69635

Molekülstruktur von 2,2,2-Trifluor-N-methyl-N-(trifluoracetyl)acetamid

Identifikatoren & physikalische Daten

CAS No.	685-27-8
Summenformel	C5H3F6NO2
Durchschnittliche Molmasse	223,07 g/mol
Monoisotopische Masse	223,00679731 g/mol
SMILES	CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIKey	AWGBWLXGUPTXHF-UHFFFAOYSA-N
PubChem CID	69635
EC No.	211-680-5
DTXSID	DTXSID00218623
Lokaler Name	2,2,2-Trifluor-N-methyl-N-(trifluoracetyl)acetamid

Chemische & physikalische Eigenschaften

XLogP	1,7
Polarare Oberfläche (TPSA)	37,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	8
Frei drehbare Bindungen	0
Schwere Atome	14
Formalladung	0
Komplexität	228
Stoffklassen	Nitrogen Compounds -> Other Nitrogen Compounds
SpringerMaterials Properties	19F nuclear magnetic resonance spectrum
Physical Description	Clear colorless liquid[Sigma-Aldrich MSDS]
Siedepunkt	121-122 °C(lit.)
Dichte	1.547 g/mL at 25 °C
Brechungsindex	n20/D 1.346(lit.)
Flammpunkt	42 °C
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	-3.38±0.70(Predicted)
Aggregatzustand	clear liquid
Farbe	Colorless to Light yellow
Wichte	1.547
BRN	1878402
InChI	1S/C5H3F6NO2/c1-12(2(13)4(6,7)8)3(14)5(9,10)11/h1H3
InChIKey	AWGBWLXGUPTXHF-UHFFFAOYSA-N
SMILES	CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
CAS Datenbank	685-27-8(CAS DataBase Reference)
NIST chemische Informationen	Acetamide, 2,2,2-trifluoro-n-methyl-n-(trifluoroacetyl)-(685-27-8)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	2,2,2-Trifluoro-N-methyl-N-(trifluoroacetyl)acetamide: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS] See Fluoroacetamide. See Chloroacetamide.
Hazard Classes and Categories	Flam. Liq. 3 (100%)
Unerwünschte Wirkungen	Dermatotoxin - Skin burns.
F	10-21
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 2920 8/PG 2
Zollcode	29241990
R-Sätze (R)	10-34-44
Gefahrensymbole	C
hazard_note	Corrosive/Moisture Sensitive
Sicherheitshinweise (S)	26-36/37/39-45-16
Gefahrenklasse	8Flam. Liq. 3Skin Corr. 1B
Verpackungsgruppe	II
Lagerklasse	3 - Flammable liquids

Anwendungen & Verwendung

Verwenden

Reagent for introducing trifluoroacetyl group.