ChemicalBook--->CAS DataBase List--->326-06-7

326-06-7

326-06-7 Structure

326-06-7 Structure
IdentificationMore
[Name]

BENZOYL-1,1,1-TRIFLUOROACETONE
[CAS]

326-06-7
[Synonyms]

1,1,1-TRIFLUORO-4-PHENYLBUTANE-2,4-DIONE
3-BENZOYL-1,1,1-TRIFLUOROACETONE
4,4,4-TRIFLUORO-1-PHENYL-1,3-BUTANEDIONE
4,4,4-TRIFLUORO-1-PHENYLBUTANE-1,3-DIONE
AKOS MSC-0330
BENZOYL-1,1,1-TRIFLUOROACETONE
BENZOYLTRIFLUOROACETONE
BTA
LABOTEST-BB LT00005189
TRIFLUORO-1-PHENYL-1,3-BUTANEDIONE
1,1,1-Trifluoro-4-phenyl-2,4-butanedione
1-Benzoyl-3,3,3-trifluoro-2-propanone
1-Benzoyl-3,3,3-trifluoroacetone
1-Phenyl-4,4,4-trifluoro-1,3-butanedione
4,4,4-trifluoro-1-phenyl-3-butanedione
4-Phenyl-1,1,1-trifluorobutane-2,4-dione
Benzoyl(trifluoroacetyl)methane
omega-(Trifluoroacetyl)acetophenone
w-(Trifluoroacetyl)acetophenone
BENZOYL-1 1 1-TRIFLUOROACETONE 98%
[EINECS(EC#)]

206-307-8
[Molecular Formula]

C10H7F3O2
[MDL Number]

MFCD00000425
[Molecular Weight]

216.16
[MOL File]

326-06-7.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO YELLOW CRYSTALLINE LOW MELTING SOLID
[Melting point ]

38-40 °C(lit.)
[Boiling point ]

224 °C(lit.)
[density ]

1,113 g/cm3
[Fp ]

210 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

95% ethanol: soluble25mg/mL, clear, colorless to yellow
[form ]

Crystalline Low Melting Solid
[pka]

pK1: 6.35 (25°C)
[color ]

White to yellow
[Water Solubility ]

Sparingly Soluble in water (0.24 g/L) (25°C).
[Detection Methods]

HPLC,GC
[BRN ]

1875083
[InChI]

InChI=1S/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5H,6H2
[InChIKey]

VVXLFFIFNVKFBD-UHFFFAOYSA-N
[SMILES]

C(C1=CC=CC=C1)(=O)CC(=O)C(F)(F)F
[CAS DataBase Reference]

326-06-7(CAS DataBase Reference)
[EPA Substance Registry System]

1,3-Butanedione, 4,4,4-trifluoro-1-phenyl- (326-06-7)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

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

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

T
[HazardClass ]

IRRITANT
[HS Code ]

29147000
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium-->Acetophenone-->Ethyl trifluoroacetate
[Preparation Products]

2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile-->methyl {[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl}acetate
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO YELLOW CRYSTALLINE LOW MELTING SOLID
[Uses]

4,4,4-Trifluoro-1-phenyl-1,3-butanedione was used in the synthesis of series of NNO ketoimines bearing trifluoromethyl substituents via Schiff base condensation reaction. It was also used in mixed-ligand chelate extraction of trivalent lanthanides and as a ligand in the preparation of ternary lanthanide (Ln) complexes.
[Synthesis]

To a three-necked flask fitted with magnetic stirring, a dropping funnel and an inert gas device, 2 mL of anhydrous methanol was added with stirring and 0.230 g (10 ) of clean sodium metal crumbs were added. mmol) of clean sodium metal crumbs, and after a
Spectrum DetailBack Directory
[Spectrum Detail]

4,4,4-Trifluoro-1-phenyl-1,3-butanedione(326-06-7)MS
4,4,4-Trifluoro-1-phenyl-1,3-butanedione(326-06-7)1HNMR
4,4,4-Trifluoro-1-phenyl-1,3-butanedione(326-06-7)13CNMR
4,4,4-Trifluoro-1-phenyl-1,3-butanedione(326-06-7)IR1
4,4,4-Trifluoro-1-phenyl-1,3-butanedione(326-06-7)IR2
4,4,4-Trifluoro-1-phenyl-1,3-butanedione(326-06-7)IR3
4,4,4-Trifluoro-1-phenyl-1,3-butanedione(326-06-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4,4,4-Trifluoro-1-phenyl-1,3-butanedione, 99%(326-06-7)
[Alfa Aesar]

3-Benzoyl-1,1,1-trifluoroacetone, 98+%(326-06-7)
[Sigma Aldrich]

326-06-7(sigmaaldrich)
[TCI AMERICA]

4,4,4-Trifluoro-1-phenyl-1,3-butanedione,>98.0%(GC)(326-06-7)
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