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326-91-0

Name Thenoyltrifluoroacetone
CAS 326-91-0
EINECS(EC#) 206-316-7
Molecular Formula C8H5F3O2S
MDL Number MFCD00005445
Molecular Weight 222.18
MOL File 326-91-0.mol
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Chemical Properties

Appearance light yellow to beige to brown crystalline powder,
Melting point  40-44 °C(lit.)
Boiling point  96-98 °C8 mm Hg(lit.)
density  1.4373 (estimate)
Fp  233 °F
storage temp.  2-8°C
solubility  sparingly soluble in water, readily soluble in organic solvents. Distribution ratio between acidic water and benzene is about 40. In alkaline aqueous medium it exists in the enolate form, this being relatively more soluble in water. The equilibrium distribution ratio between benzene and alkaline aqueous medium (about pH 8) is about 1. In alkaline aqueous medium of pH > 9 TTA decomposes to trifluoroacetone and acetylthiophen.
form  Crystalline Powder, Crystals and/or Chunks
pka 5.60±0.23(Predicted)
color  Light yellow or beige to brown
Odor Odorless
Water Solubility  INSOLUBLE
Detection Methods GC,HPLC,NMR
BRN  168645
Stability: Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 1 month.
InChIKey TXBBUSUXYMIVOS-UHFFFAOYSA-N
Uses
2-Thenoyltrifluoroacetone (TTFA) is an inhibitor of respiration in animals and bacteria. In animals, TTFA binds at the quinone reduction site of succinate:ubiquinone oxidoreductase (SQR; Complex II), preventing ubiquinone from binding. It inhibits NADH fumarate reductase in bacteria. TTFA also inhibits photosystem II in plants and NADH-ubiquinone oxidoreductase of the virus Vibrio cholerae, decreasing cholera toxin production. This compound is also a chelator of metals, including lanthanum, zirconium, hafnium, and neodymium. Reagent for the determination of actinides and lanthanides.
2-Thenoyltrifluoroacetone is used for the extractive spectrophotometric determination of ruthenium at ph 4.0 (acetate buffer).
Thenoyltrifluoroacetone has also been used as an alternative β-diketone for in-house assay development since NTA was not, until recently, commercially available.
CAS DataBase Reference 326-91-0(CAS DataBase Reference)
NIST Chemistry Reference 1,3-Butanedione, 4,4,4-trifluoro-1-(2-thienyl)-(326-91-0)
EPA Substance Registry System 326-91-0(EPA Substance)
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Safety Data

Hazard Codes  Xi,Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
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 .
WGK Germany  3
F  10-23
Hazard Note  Irritant
TSCA  T
HazardClass  IRRITANT
HS Code  29349990

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