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Merck
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重要文件

443700

Sigma-Aldrich

4,4,4-三氟丁酸乙酯

≥98%

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About This Item

線性公式:
CF3CH2CH2CO2C2H5
CAS號碼:
分子量::
170.13
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

品質等級

化驗

≥98%

形狀

liquid

折射率

n20/D 1.3516 (lit.)

bp

127 °C (lit.)

密度

1.16 g/mL at 25 °C (lit.)

官能基

ester
fluoro

SMILES 字串

CCOC(=O)CCC(F)(F)F

InChI

1S/C6H9F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3

InChI 密鑰

PSRZMXNNQTWAGB-UHFFFAOYSA-N

一般說明

Ethyl 4,4,4-trifluorobutyrate is an ethyl ester of 4,4,4-tributyric acid. It is a useful spin trapping reagent used for ESR/EPR spectroscopy. It can be synthesized from Grignard reagent derived from 3-chloro-1,1,1-trifluoropropane..

象形圖

FlameExclamation mark

訊號詞

Warning

危險分類

Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - STOT SE 3

標靶器官

Respiratory system

儲存類別代碼

3 - Flammable liquids

水污染物質分類(WGK)

WGK 3

閃點(°F)

91.4 °F - closed cup

閃點(°C)

33 °C - closed cup

個人防護裝備

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


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分析證明 (COA)

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R T Jacobs et al.
Journal of medicinal chemistry, 37(9), 1282-1297 (1994-04-29)
The continued exploration of a series of 3-(arylmethyl)-1H-indole-5-carboxamides by the introduction of fluorinated amide substituents has resulted in the discovery of 4-[[5-[((2R)-2-methyl-4,4,4-trifluorobutyl)carbamoyl]-1-methyli ndol- 3-yl]methyl]-3-methoxy-N-[(2-methyl-phenyl)sulfonyl]benzamide (38p, ZENECA ZD3523), which has been chosen for clinical evaluation. This compound exhibited a Ki of
The Journal of Organic Chemistry, 60, 5434-5434 (1995)
Compounds Derived from 3-Halo-1, 1, 1-trifluoropropane1, 2.
McBee E, et al.
Journal of the American Chemical Society, 72(11), 5071-5073 (1950)

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