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Merck

469548

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione

98%

Synonym(s):

PTA, Pivaloyltrifluoroacetone

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About This Item

Linear Formula:
(CH3)3CCOCH2COCF3
CAS Number:
Molecular Weight:
196.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
245-211-0
MDL number:
Assay:
98%
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InChI key

BVPKYBMUQDZTJH-UHFFFAOYSA-N

InChI

1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3

SMILES string

CC(C)(C)C(=O)CC(=O)C(F)(F)F

assay

98%

refractive index

n20/D 1.407 (lit.)

bp

138-141 °C (lit.)

density

1.129 g/mL at 25 °C (lit.)

functional group

fluoro, ketone

Quality Level

Gene Information

mouse ... Mtap(66902)

General description

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (TFDMHD) is a 1,3-diketone. It forms Er(3+) complexes. These complexes shows thermally activated slow relaxation of magnetization under a zero direct-current (DC) field.

Application

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (TFDMHD) may be used in the synthesis of series of NNO ketoimines bearing trifluoromethyl substituents, via Schiff base condensation. It may be used in the synthesis of octahedral Werner-type cobalt(II) complexes. It was used in the preparation of D2-TFDMHD, by mixing with D2O.

pictograms

Flame

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

105.8 °F - closed cup

flash_point_c

41 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Conformation, molecular structure, and intramolecular hydrogen bonding of 1, 1, 1-trifluoro-5, 5-dimethyl-2, 4-hexanedione.
Vakili M, et al.
Journal of Molecular Structure, 1021, 102-111 (2012)
M Ramos Silva et al.
Dalton transactions (Cambridge, England : 2003), 44(3), 1264-1272 (2014-11-22)
The magnetic properties of two similar Er(3+) complexes have been investigated. [Er(tpm)3(bipy)] (Htpm = 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione and bipy = 2,2'-bipyridine) displays thermally activated slow relaxation of magnetisation under a zero direct-current (DC) field. Under an applied HDC field of 1000 G
Anne Baker et al.
Clinical rehabilitation, 31(1), 45-60 (2016-03-25)
To identify factors reported with negative and positive outcomes for caregivers of the traumatic brain injury and spinal cord injury cohorts, to investigate what interventions have been studied to support carers and to report what effectiveness has been found. Scoping
Ippei Inoue et al.
Journal of bioscience and bioengineering, 122(5), 528-532 (2016-10-26)
We have developed an easy and rapid screening method of peptide aptamers with high affinity for a target material TiO2 using M13 phage-display and panning procedure. In a selection step, the phage-substrate complexes and Escherichia coli cells were directly applied
Anette Lohmander et al.
Journal of plastic surgery and hand surgery, 51(1), 27-37 (2017-02-22)
Adequate velopharyngeal function and speech are main goals in the treatment of cleft palate. The objective was to investigate if there were differences in velopharyngeal competency (VPC) and hypernasality at age 5 years in children with unilateral cleft lip and

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