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HomeProduct name listN-Methyl-2,2,2-trifluoroacetamide

N-Methyl-2,2,2-trifluoroacetamide

  • CAS NO.:815-06-5
  • Empirical Formula: C3H4F3NO
  • Molecular Weight: 127.07
  • MDL number: MFCD00009670
  • EINECS: 212-417-7
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-04-16 16:23:18
N-Methyl-2,2,2-trifluoroacetamide Structural

What is N-Methyl-2,2,2-trifluoroacetamide?

Chemical properties

WHITE CRYSTALS OR CRYSTALLINE POWDER

The Uses of N-Methyl-2,2,2-trifluoroacetamide

N-Methyltrifluoroacetamide is a useful synthetic intermediate. It is used to prepare electrophilic 11b-aryl derivs. of estradiol as steroidal affinity labels of the estrogen receptor a. It is also used to synthesize amino substituted derivatives of 5'-amino-5'-deoxy-5'-noraristeromycin as antiviral agent.

General Description

The high-resolution proton and fluorine resonance spectra of N-methyltrifluoroacetamide in tetrahydrofuran and acetone was studied.

Properties of N-Methyl-2,2,2-trifluoroacetamide

Melting point: 49-51 °C(lit.)
Boiling point: 156-157 °C(lit.)
Density  1.3215 (estimate)
Flash point: 165 °F
storage temp.  Inert atmosphere,Room Temperature
form  powder to crystal
pka 11.54±0.46(Predicted)
color  White to Almost white
Sensitive  Hygroscopic
BRN  1703392
InChI InChI=1S/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8)
CAS DataBase Reference 815-06-5(CAS DataBase Reference)
NIST Chemistry Reference Acetamide, 2,2,2-trifluoro-N-methyl-(815-06-5)
EPA Substance Registry System Acetamide, 2,2,2-trifluoro-N-methyl- (815-06-5)

Safety information for N-Methyl-2,2,2-trifluoroacetamide

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

Computed Descriptors for N-Methyl-2,2,2-trifluoroacetamide

InChIKey IQNHBUQSOSYAJU-UHFFFAOYSA-N
SMILES C(NC)(=O)C(F)(F)F

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