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Merck
CN

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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Quality Segment

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

SMILES string

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

InChI

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

InChI key

BVPKYBMUQDZTJH-UHFFFAOYSA-N

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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