ChemicalBook--->CAS DataBase List--->421-85-2

421-85-2

421-85-2 Structure

421-85-2 Structure
IdentificationMore
[Name]

TRIFLUOROMETHANESULFONAMIDE
[CAS]

421-85-2
[Synonyms]

TRIFLAMIDE
TRIFLUOROMETHANESULFONAMIDE
TRIFLUOROMETHANESULPHONAMIDE
Trifluoromethanesulfonamide,96%
trifluoromethylsulfonamide
Trifluoromethanesulphonamide 98%
Trifluoromethanesulphonamide98%
Trifluoromethanesulphonamide, tech. 96%
Trifluoromethanesulfonimidic acid
[EINECS(EC#)]

431-270-1
[Molecular Formula]

CH2F3NO2S
[MDL Number]

MFCD00068714
[Molecular Weight]

149.09
[MOL File]

421-85-2.mol
Chemical PropertiesBack Directory
[Melting point ]

120-124 °C(lit.)
[Boiling point ]

164.6±45.0 °C(Predicted)
[density ]

1.730±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

6.37±0.60(Predicted)
[color ]

Off-White
[Water Solubility ]

Soluble in water.
[BRN ]

1812099
[InChI]

InChI=1S/CH2F3NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7)
[InChIKey]

KAKQVSNHTBLJCH-UHFFFAOYSA-N
[SMILES]

C(F)(F)(F)S(N)(=O)=O
[CAS DataBase Reference]

421-85-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
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 .
[WGK Germany ]

3
[Hazard Note ]

Harmful
[REACH Registrations]

Inactive
[HS Code ]

29350090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Questions And AnswerBack Directory
[Reaction]

Trifluoromethanesulfonamide can react with paraformaldehyde in sulfuric acid to give open chain and cyclic condensation products, or in ethyl acetate to give oxy-methylated products.
Hazard InformationBack Directory
[Chemical Properties]

White to off-white solid
[Uses]

Trifluoromethanesulfonamide is used as an intermediate in synthetic chemistry. It is used in the preparation of specific inhibitors of mammalian secreted phospholipases A2. It is also involved in the synthesis of ecicosanoids.
[Application]

It is known that benzylamine-type trifluoromethanesulfonamide derivatives such as N-benzyltrifluoromethanesulfonamide and the like and trifluoromethanesulfonamide derivatives having a condensed heterocyclic ring structure have herbicidal activity so that they are used as a herbicide.
[Synthesis]

15.39 trifluoromethanesulfonyl chloride dissolved in 103 g of anhydrous isopropyl ether is charged to a reactor. The medium is cooled to 5 °C. and the ammonia is added slowly over 2 hours. After 5 hours of stirring at 5° C., 24.8 g of water are added to dissolve the salts. The medium is then acidified by adding 20.7 g of a 36% aqueous hydrochloric acid solution.   
After a further addition of 13 g of water, the phases are separated. The aqueous phase is washed with 50 g of isopropyl ether. The organic phases are combined and the solvent is removed under reduced pressure.
10.15 g of a white solid of trifluoromethanesulfonamide are thus obtained.
Spectrum DetailBack Directory
[Spectrum Detail]

Trifluoromethanesulfonamide(421-85-2)MS
Trifluoromethanesulfonamide(421-85-2)1HNMR
Trifluoromethanesulfonamide(421-85-2)13CNMR
Trifluoromethanesulfonamide(421-85-2)IR1
Trifluoromethanesulfonamide(421-85-2)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Trifluoromethanesulfonamide, 96%(421-85-2)
[Sigma Aldrich]

421-85-2(sigmaaldrich)
[TCI AMERICA]

Trifluoromethanesulfonamide,>98.0%(T)(421-85-2)
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