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5-三氟甲基尿嘧啶

5-三氟甲基尿嘧啶名称

[ CAS 号 ]:
54-20-6

[ 中文名 ]:
5-三氟甲基尿嘧啶

[ 英文名 ]:
Trifluorothymine

[中文别名 ]:

[英文别名 ]:

5-(Trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
MFCD00006024
EINECS 200-197-5
5-(Trifluoromethyl)uracil
5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)-

5-三氟甲基尿嘧啶物理化学性质

[ 密度 ]:
1.6±0.1 g/cm3

[ 沸点 ]:
350ºC

[ 熔点 ]:
245-246 °C(lit.)

[ 分子式 ]:
C₅H₃F₃N₂O₂

[ 分子量 ]:
180.085

[ 精确质量 ]:
180.014664

[ PSA ]:
65.72000

[ LogP ]:
0.04

[ 外观性状 ]:
白色至淡的黄色结晶粉末

[ 折射率 ]:
1.428

[ 储存条件 ]:
−20°C

[ 水溶解性 ]:
INSOLUBLE

5-三氟甲基尿嘧啶MSDS

5-三氟甲基尿嘧啶毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YR1750000

CHEMICAL NAME :: Uracil, 5-(trifluoromethyl)-

CAS REGISTRY NUMBER :: 54-20-6

LAST UPDATED :: 199709

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C5-H3-F3-N2-O2

MOLECULAR WEIGHT :: 180.10

WISWESSER LINE NOTATION :: T6MVMVJ EXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 800 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 24,1979,1964

5-三氟甲基尿嘧啶安全信息

[ 符号 ]:

GHS06

[ 信号词 ]:
Danger

[ 危害声明 ]:
H301-H315-H319-H335

[ 警示性声明 ]:
P261-P301 + P310-P305 + P351 + P338

[ 危害码 (欧洲) ]:
Xi

[ 风险声明 (欧洲) ]:
R22

[ 安全声明 (欧洲) ]:
S24/25

[ 危险品运输编码 ]:
2811.0

[ WGK德国 ]:
3

[ RTECS号 ]:
YR1750000

[ 海关编码 ]:
2933599090

5-三氟甲基尿嘧啶合成路线

5-三氟甲基尿嘧啶上下游产品

5-三氟甲基尿嘧啶上游产品

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5-三氟甲基尿嘧啶海关

[ 海关编码 ]: 2933599090

[ 中文概述 ]:
2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

[ 申报要素 ]: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

[ Summary ]:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-三氟甲基尿嘧啶文献

Molecular structure and effects of intermolecular hydrogen bonding on the vibrational spectrum of trifluorothymine, an antitumor and antiviral agent.

J. Mol. Model. 18(9) , 4453-64, (2012)

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 trifluorothymi...

Quantitative 19F NMR study of trifluorothymidine metabolism in rat brain.

NMR Biomed. 12(6) , 373-80, (1999)

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...

Synthesis and in vitro activity of D- and L-enantiomers of 5-(trifluoromethyl)uracil nucleoside derivatives.

Nucleosides Nucleotides Nucleic Acids 20(4-7) , 1123-5, (2001)

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, w...

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