ChemicalBook--->CAS DataBase List--->815-06-5

815-06-5

815-06-5 Structure

815-06-5 Structure
IdentificationMore
[Name]

N-Methyl-2,2,2-trifluoroacetamide
[CAS]

815-06-5
[Synonyms]

2,2,2-TRIFLUORO-N-METHYLACETAMIDE
N-METHYL-2,2,2-TRIFLUOROACETAMIDE
N-METHYLTRIFLUOROACETAMIDE
TIMTEC-BB SBB008211
2,2,2-trifluoro-n-methyl-acetamid
N-Methyltrifluoroacetamide,98%
N-Methyl-2,2,2-trifluoroacetamide 98%
N-metnyl-2,2,2-trifluoroacetamide
N-Methyl-2,2,2-trifluoroacetamide, 98+%
[EINECS(EC#)]

212-417-7
[Molecular Formula]

C3H4F3NO
[MDL Number]

MFCD00009670
[Molecular Weight]

127.07
[MOL File]

815-06-5.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE CRYSTALS OR CRYSTALLINE POWDER
[Melting point ]

49-51 °C(lit.)
[Boiling point ]

156-157 °C(lit.)
[density ]

1.3215 (estimate)
[Fp ]

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)
[InChIKey]

IQNHBUQSOSYAJU-UHFFFAOYSA-N
[SMILES]

C(NC)(=O)C(F)(F)F
[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]

815-06-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 1325 4.1/PG 2
[WGK Germany ]

3
[F ]

3-10-21
[Hazard Note ]

Irritant/Hygroscopic
[TSCA ]

T
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29241990
Hazard InformationBack Directory
[Chemical Properties]

WHITE CRYSTALS OR CRYSTALLINE POWDER
[Uses]

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.
Spectrum DetailBack Directory
[Spectrum Detail]

N-Methyl-2,2,2-trifluoroacetamide(815-06-5)MS
N-Methyl-2,2,2-trifluoroacetamide(815-06-5)1HNMR
N-Methyl-2,2,2-trifluoroacetamide(815-06-5)13CNMR
N-Methyl-2,2,2-trifluoroacetamide(815-06-5)IR1
N-Methyl-2,2,2-trifluoroacetamide(815-06-5)IR2
N-Methyl-2,2,2-trifluoroacetamide(815-06-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N-Methyl-2,2,2-trifluoroacetamide, 98%(815-06-5)
[Alfa Aesar]

N-Methyl-2,2,2-trifluoroacetamide, 98+%(815-06-5)
[Sigma Aldrich]

815-06-5(sigmaaldrich)
[TCI AMERICA]

N-Methyltrifluoroacetamide,>98.0%(GC)(815-06-5)
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