Name: Name:Benzoyl-1,1,1-trifluoroacetone
Brand: AABLOCKS
SKU: AA003O08
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA003O08

Chemical Name: Benzoyl-1,1,1-trifluoroacetone

CAS Number: 326-06-7

Molecular Formula: C10H7F3O2

Molecular Weight: 216.1566

MDL Number: MFCD00000425

SMILES: O=C(c1ccccc1)CC(=O)C(F)(F)F

NSC Number: 42628

Properties

BP: 240.9°C at 760 mmHg

Form: Solid

MP: 38-40 °C(lit.)

Solubility: 95% ethanol: soluble25mg/mL, clear, colorless to yellow

Storage: Keep in dry area;Room Temperature;

Complexity: 252

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 15

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.6

Literature fold

Title: 4-[5-(Furan-2-yl)-3-trifluoro-methyl-1H-pyrazol-1-yl]benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online20120401

Title: Modulating spin dynamics of cyclic LnIII-radical complexes (LnIII = Tb, Dy) by using phenyltrifluoroacetylacetonate coligand.

Journal: Dalton transactions (Cambridge, England : 2003)20120314

Title: 4-(5-Phenyl-3-trifluoro-meth-yl-1H-pyrazol-1--yl)benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online20110901

Title: Effect of substituent of β-diketones on the synergistic extraction of lanthanoids with linear polyether.

Journal: Talanta20110530

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

Title: 4,7-Dichloro benzothien-2-yl sulfonylaminomethyl boronic acid: first boronic acid-derived beta-lactamase inhibitor with class A, C, and D activity.

Journal: Bioorganic & medicinal chemistry letters20100415

Title: New copper(II)-radical one dimensional chain: Synthesis, crystal structure, EPR, magnetic properties and DFT calculations.

Journal: Dalton transactions (Cambridge, England : 2003)20090914

Title: 5-Benzoyl-4-hydr-oxy-6-(4-nitro-phen-yl)-4-trifluoro-meth-yl-3,4,5,6-tetrahydro-pyrimidin-2(1H)-one monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online20090101

Title: 2-Amino-1H-benzoimidazol-3-ium 4,4,4-trifluoro-1,3-dioxo-1-phenyl-butan-2-ide.

Journal: Acta crystallographica. Section E, Structure reports online20081201

Title: Structural diversity in neodymium bipyrimidine compounds with near infrared luminescence: from mono- and binuclear complexes to metal-organic frameworks.

Journal: Inorganic chemistry20081117

Title: Vibrational assignment and structure of trifluorobenzoylacetone. A density functional theoretical study.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy20070301

Title: The imidazole role in strontium beta-diketonate complexes formation.

Journal: Inorganic chemistry20060403

Title: Transfer rate of several tris(beta-diketonato)iron(III) complexes at the bulk aqueous--Triton X-100 micellar interface: effects of substituent groups in the extractants.

Journal: Journal of colloid and interface science20030601

Title: Sonolysis of metal beta-diketonates in alkanes.

Journal: Ultrasonics sonochemistry20030301

Title: NMR-based modification of matrix metalloproteinase inhibitors with improved bioavailability.

Journal: Journal of medicinal chemistry20021219

Title: Antimicrobial activity of trifluoromethyl ketones and their synergism with promethazine.

Journal: International journal of antimicrobial agents20010801