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文件

223271

Sigma-Aldrich

三氟胸腺嘧啶

97%

同義詞:

5-三氟甲基尿嘧啶

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About This Item

經驗公式(希爾表示法):
C5H3F3N2O2
CAS號碼:
分子量::
180.08
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

化驗

97%

形狀

powder

mp

245-246 °C (lit.)

溶解度

methanol: soluble 50 mg/mL, clear

SMILES 字串

FC(F)(F)C1=CNC(=O)NC1=O

InChI

1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)

InChI 密鑰

LMNPKIOZMGYQIU-UHFFFAOYSA-N

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象形圖

Skull and crossbones

訊號詞

Danger

危險分類

Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

標靶器官

Respiratory system

儲存類別代碼

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

水污染物質分類(WGK)

WGK 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable


分析證明 (COA)

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R Salvetti et al.
Nucleosides, nucleotides & nucleic acids, 20(4-7), 1123-1125 (2001-09-21)
Recently, beta-L-nucleoside analogues have emerged as a new class of sugar modified nucleosides with potential antiviral and/or antitumoral activity. As a part of our ongoing research on this topic, we decided to synthesize 5-CF3-beta-L-dUrd (7), the hitherto unknown L-enantiomer of
Cağrı Cırak et al.
Journal of molecular modeling, 18(9), 4453-4464 (2012-05-31)
In the present work, the experimental and the theoretical vibrational spectra of trifluorothymine were investigated. The FT-IR (400-4000 cm(-1)) and μ-Raman spectra (100-4000 cm(-1)) of trifluorothymine in the solid phase were recorded. The geometric parameters (bond lengths and bond angles) and vibrational
R Pouremad et al.
NMR in biomedicine, 12(6), 373-380 (1999-10-12)
Metabolism of trifluorothymidine (TFT) and its transport across the blood-brain barrier (BBB) has been measured quantitatively in rats by fluorine-19 nuclear magnetic resonance spectroscopy ((19)F NMR). It is demonstrated that TFT crosses the BBB in micromolar quantities and is metabolized

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