ChemicalBook--->CAS DataBase List--->2923-18-4

2923-18-4

2923-18-4 Structure

2923-18-4 Structure
IdentificationMore
[Name]

Sodium trifluoroacetate
[CAS]

2923-18-4
[Synonyms]

SODIUM TRIFLUOROACETATE
TRIFLUOROACETIC ACID SODIUM SALT
sodiumperfluoroacetate
trifluoro-aceticacisodiumsalt
Sodlium trifluoroacetate
TRIFLUOROACETIC ACID SODIUM CRYSTALLINE
Sodiumtrifluoroacetate,97+%
Acetic acid, trifluoro-, sodium salt
Sodium trifluoroacetate 97%
SODIUMTRIFLUOR-ACETATE
SODIUMPERFLUOROACETICACID
Natriumtrifluoracetat
Sodium 2,2,2-trifluoroacetate
[EINECS(EC#)]

220-879-6
[Molecular Formula]

C2F3NaO2
[MDL Number]

MFCD00013217
[Molecular Weight]

136.01
[MOL File]

2923-18-4.mol
Chemical PropertiesBack Directory
[Appearance]

White crystalline powder
[Melting point ]

205-207 °C (dec.) (lit.)
[density ]

1.49 g/mL(lit.)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

H2O: 1 M at 20 °C, clear, colorless
[form ]

Crystalline Powder
[color ]

White
[Specific Gravity]

1.49
[PH]

7 (H2O, 20℃)
[Water Solubility ]

625 g/L (25 ºC)
[Hydrolytic Sensitivity]

6: forms irreversible hydrate
[Sensitive ]

Hygroscopic
[BRN ]

3597949
[Stability:]

Hygroscopic
[Major Application]

USP Biologics
pharmaceutical (small molecule)
[InChI]

1S/C2HF3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
[InChIKey]

UYCAUPASBSROMS-UHFFFAOYSA-M
[SMILES]

[Na+].[O-]C(=O)C(F)(F)F
[LogP]

1.238 (est)
[CAS DataBase Reference]

2923-18-4(CAS DataBase Reference)
[EPA Substance Registry System]

2923-18-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Danger
[Hazard statements ]

H411
[Precautionary statements ]

P273-P391-P501
[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 ]

2811
[WGK Germany ]

1
[RTECS ]

AK0250000
[F ]

3-10
[Hazard Note ]

Irritant/Hygroscopic
[TSCA ]

T
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29159080
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Trifluoroacetic acid-->Sodium hydroxide
[Preparation Products]

2-(Trifluoromethyl)-4-isocyanatopyridine-->(Trifluoromethyl)trimethylsilane-->3-Trifluoromethylpyridine-->2-Trifluoromethyl-6-pyridinecarboxylic acid-->2-(Trifluoromethyl)-pyridine-4-carboxaldehyde-->1,4-Bis(trifluoromethyl)-benzene-->Phenyl trifluoroacetate-->3,4,5-Trifluorobenzotrifluoride-->Bis(triphenylphosphine)iminium trifluoroacetate-->Trimethylsilyl trifluoroacetate-->Pentamethylbenzene-->3-Methylbenzotrifluoride-->N-Butyltrifluoroacetamide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Sodium trifluoroacetate(2923-18-4).msds
Hazard InformationBack Directory
[Chemical Properties]

Sodium trifluoroacetate(2923-18-4) is an organic metal compound with the chemical formula CF3COONa. It is a white crystalline powderr that easily absorbs moisture. This compound has the ability to add a trifluoromethyl group to halogenated aromatic hydrocarbons.
[Uses]

Sodium trifluoroacetate is used in acid catalyzed reactions. It is also used as an intermediate for active pharmaceutical ingredients (API). Further, it acts as a precursor for the trifluoromethylation of aldehydes using copper(I) halide as a catalyst.
[Preparation]

It can be obtained by reacting trifluoroacetic acid with sodium carbonate or sodium hydroxide.
[Purification Methods]

A possible contaminant is NaCl. The solid is treated with CF3CO2H and evaporated twice. Its solubility in CF3CO2H is 13.1% at 29.8o. The residue is crystallised from dilute EtOH, and the solid is dried in vacuum at 100o. [Hara & Cady J Am Chem Soc 76 4285 1954.] It can be precipitated from EtOH by adding dioxane, then recrystallising several times from hot absolute EtOH. Dry it at 120-130o/1mm. [Beilstein 2 IV 461.]
Spectrum DetailBack Directory
[Spectrum Detail]

Sodium trifluoroacetate(2923-18-4)1HNMR
Sodium trifluoroacetate(2923-18-4)13CNMR
Sodium trifluoroacetate(2923-18-4)IR1
Sodium trifluoroacetate(2923-18-4)IR2
Sodium trifluoroacetate(2923-18-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Trifluoroacetic acid, sodium salt, 97%(2923-18-4)
[Alfa Aesar]

Sodium trifluoroacetate, 98%(2923-18-4)
[Sigma Aldrich]

2923-18-4(sigmaaldrich)
[TCI AMERICA]

Sodium Trifluoroacetate,>98.0%(T)(2923-18-4)
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