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2926-30-9

2926-30-9 Structure

2926-30-9 Structure
IdentificationMore
[Name]

Sodium trifluoromethanesulfonate
[CAS]

2926-30-9
[Synonyms]

SODIUM TRIFLATE
SODIUM TRIFLATE TRIFLUOROMETHANESULFONIC ACID, SODIUM SALT
SODIUM TRIFLUOROMETHANESULFONATE
SODIUM TRIFLUOROMETHANESULPHONATE
TRIFLUOROMETHANESULFONIC ACID SODIUM SALT
Sodium trifluoromethanesulphonate 98%
Sodiumtrifluoromethanesulphonate98%
Sodium trifluorometha
[Molecular Formula]

CF3NaO3S
[MDL Number]

MFCD00061607
[Molecular Weight]

172.06
[MOL File]

2926-30-9.mol
Chemical PropertiesBack Directory
[Appearance]

White to off-white powder
[Melting point ]

253-255 °C (lit.)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Powder
[color ]

White to off-white
[Water Solubility ]

soluble
[Hydrolytic Sensitivity]

0: forms stable aqueous solutions
[Sensitive ]

Hygroscopic
[BRN ]

3728797
[InChI]

InChI=1S/CHF3O3S.Na/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1/p-1
[InChIKey]

KKVTYAVXTDIPAP-UHFFFAOYSA-M
[SMILES]

C(F)(F)(F)S([O-])(=O)=O.[Na+]
[CAS DataBase Reference]

2926-30-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,C,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

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

3
[F ]

3-10
[Hazard Note ]

Corrosive
[TSCA ]

No
[HS Code ]

29049090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen fluoride-->Methanesulfonic acid
[Preparation Products]

1-Fluoro-4-(trifluoromethylthio)benzene-->Ethyl trifluoromethanesulfonate-->4-Bromophenyl trifluoromethanesulfonate-->Trifluoromethane-->1-Fluoropyridinium triflate-->4-Bromophenyl triflate
Hazard InformationBack Directory
[Description]

Sodium trifluoromethanesulfonate is commonly known as trifluoromethanesulfonic acid or TFMS. Possessing unique properties, TFMS is water-soluble, anionic, and boasts a range of valuable attributes. As a colorless, odorless, and non-toxic substance, TFMS finds widespread use as a reagent in organic synthesis, a catalyst in industrial applications, and a buffer in various biochemical experiments. In scientific research, TFMS stands out due to its robust acidity, enabling it to act as a potent catalyst in organic synthesis. Additionally, it effectively serves as a reliable buffer at pH levels, ensuring precise pH maintenance in biochemical experiments. As an anionic compound, TFMS functions as a strong acid in solution, facilitating the donation of protons to other molecules, thus reducing the pH.
[Chemical Properties]

White to off-white powder
[Uses]

Sodium trifluoromethanesulfonate is used in the preparation of N-fluoro-2-methylpyridinium triflate by reaction with dinitrogen difluoride as a reagent. It is also used as a chaotropic mobile phase additive in reversed-phase liquid chromatography (RP-LC).
[Preparation]

Sodium trifluoromethanesulfonate is prepared by adding a slight excess of sodium sulfate to an aqueous solution of barium trifluoromethanesulfonate. The reaction mixture is stirred for several minutes and allowed to stand for one day, and the white precipitate of barium sulfate is removed by filtration. The clear filtrate is evaporated to dryness, and the solid product is recrystallized from dry acetone. The salt is dried under vacuum at 110?°C.1 Barium trifluoromethanesulfonate can be easily prepared from aqueous trifluoromethanesulfonic acid and barium carbonate. Other methods include the preparation of sodium trifluoromethane sulfonate from sodium dithionite and bromotrifluoromethane and its oxidation to sodium trifluoromethane sulfonate using hydrogen peroxide.
[General Description]

Sodium trifluoromethanesulfonate (Sodium triflate or NaOTf) is an efficient catalyst as well as a reagent in many organic reactions. The prominent application includes catalytic asymmetric Mannich-type reactions, Mannich-type reactions in water, and Diels-Alder reactions.
[Solubility in organics]

soluble in water, alcohol, acetonitrile, N,N-dimethylformamide, and most highly polar organic solvents.
Spectrum DetailBack Directory
[Spectrum Detail]

Sodium trifluoromethanesulfonate(2926-30-9)1HNMR
Sodium trifluoromethanesulfonate(2926-30-9)IR1
Sodium trifluoromethanesulfonate(2926-30-9)IR2
Sodium trifluoromethanesulfonate(2926-30-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Sodium trifluoromethanesulfonate, 98%(2926-30-9)
[Alfa Aesar]

Sodium trifluoromethanesulfonate, 98%(2926-30-9)
[Sigma Aldrich]

2926-30-9(sigmaaldrich)
[TCI AMERICA]

Sodium Trifluoromethanesulfonate,>98.0%(T)(2926-30-9)
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