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Merck
CN

469548

1,1,1-三氟-5,5-二甲基-2,4-己二酮

98%

别名:

5,5-二甲-1,1,1-三氟-2,4-己二酮, PTA

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关于此项目

线性分子式:
(CH3)3CCOCH2COCF3
化学文摘社编号:
分子量:
196.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
245-211-0
MDL number:
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产品名称

1,1,1-三氟-5,5-二甲基-2,4-己二酮, 98%

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)

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.

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.

pictograms

Flame

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3

存储类别

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

法规信息

危险化学品
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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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.
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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)
Christina Vrahnas et al.
Nature communications, 10(1), 3436-3436 (2019-08-02)
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