Merck
CN

223271

Sigma-Aldrich

三氟胸腺嘧啶

97%

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别名:
5-三氟甲基尿嘧啶
Empirical Formula (Hill Notation):
C5H3F3N2O2
CAS号:
分子量:
180.08
EC 号:
MDL编号:
PubChem化学物质编号:
NACRES:
NA.22

质量水平

检测方案

97%

形式

powder

mp

245-246 °C (lit.)

溶解性

methanol: soluble 50 mg/mL, clear

SMILES string

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 key

LMNPKIOZMGYQIU-UHFFFAOYSA-N

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T2255H31859114588
Trifluorothymine 97%

Sigma-Aldrich

223271

三氟胸腺嘧啶

Trifluorothymidine ≥99% (HPLC)

Sigma-Aldrich

T2255

三氟胸苷

5-Hydroxyindole 97%

Sigma-Aldrich

H31859

5-羟基苯并吡咯

form

powder

form

powder

form

-

form

powder

mp

245-246 °C (lit.)

mp

190-193 °C (lit.)

mp

106-108 °C (lit.)

mp

285-288 °C (lit.)

solubility

methanol: soluble 50 mg/mL, clear

solubility

water: 50 mg/mL, clear, colorless

solubility

-

solubility

H2O: insoluble, acetone: moderately soluble, benzene: very slightly soluble, chloroform: very slightly soluble, diethyl ether: very slightly soluble

象形图

Skull and crossbones

警示用语:

Danger

危险分类

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

靶器官

Respiratory system

储存分类代码

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

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

法规信息

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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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