5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione 5-三氟甲基尿嘧啶

CAS 54-20-6 MFCD00006024

化学结构图

54-20-6
SMILES: O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1

化学属性

Mol. FormulaC5H3F3N2O2
Mol. Weight180.09
Melting Point245-246°C
Density1.422
TSCANo
Solubility不溶

别名和识别编码

Chemical Name5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
CAS Number54-20-6
Alfabeta NameTRIFLUOROMETHYLURACIL 5()-
MDL NumberMFCD00006024
Synonym 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione {LY} 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione {} {LY} 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione {} {} {LY} 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione {} {} {} {LY} 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione {} {} {} {} {LY} 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione {} {} {} {} {} {LY} 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione {} {} {} {} {} {} {LY} 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione {} {} {} {} {} {} {} {LY} 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione {} {} {} {} {} {} {} {} {LY} 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione {} {} {} {} {} {} {} {} {} {LY} 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione {} {} {} {} {} {} {} {} {} {} {LY} 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Trifluoromethyl)pyrimidine-2
EC Number200-197-5
Beilstein Registry Number612694
PubChem Substance ID87577375
Chemical Name Translation5-三氟甲基尿嘧啶
Reaxys-RN612694
Wiswesser Line NotationT6MVMVJ EXFFF
LabNetwork Molecule IDLN00008092
Canonical SMILESO=C(N1)NC=C(C(F)(F)F)C1=O
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分类

  • {SNA} Building Blocks, C4 to C5, Chemical Synthesis, Heterocyclic Building Blocks, Pyrimidines
  • {uni_hamburg} no charge; nitrogen heterocycle; 6RingOnly; 6ring; urea; amide; lactame; 1fragment

相关文献及参考

  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT
Signal word Danger Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P301+P310
  • P305+P351+P338
RTECSYR1750000
Hazard Codes T Xi
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Storage condition -20°C {LY} -20°C {} {LY} -20°C {} {} {LY} -20°C {} {} {} {LY} -20°C {} {} {} {} {LY} -20°C {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { 
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

其他信息

  • 5-三氟甲基尿嘧啶价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T1622 5-(三氟甲基)尿嘧啶 5-(Trifluoromethyl)uracil 5G 3880元 2014/06/02 T1622 5-(三氟甲基)尿嘧啶 5-(Trifluoromethyl)uracil 1G 1390元 2010/06/21 207582500 5-三氟甲基尿嘧啶 5-(Trifluoromethyl)uracil 99% 250 MG 485元
  • MSDS 信息:Trifluoromethyluracil(54-20-6).msds
  • MOL 文件:54-20-6.mol
  • TCI Shanghai:5-三氟甲基尿嘧啶 5-(Trifluoromethyl)uracil,>;97.0%(T)(54-20-6)
  • Sigma Aldrich:54-20-6(sigmaaldrich)
  • Hazard Note:Irritant
  • 图谱信息:5-三氟甲基尿嘧啶(54-20-6)质谱(MS) 5-三氟甲基尿嘧啶(54-20-6)红外图谱(IR2) 5-三氟甲基尿嘧啶(54-20-6)红外图谱(IR1)
  • Acros Organics:5-(Trifluoromethyl)uracil, 99%(54-20-6)
  • Alfa Aesar:5-三氟甲氧尿嘧啶,97% 5-(Trifluoromethyl)uracil, 97%(54-20-6)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrimidines 嘧啶
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrimidines 嘧啶
  5. C4 to C5 - Pyrimidines
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Fluorous Chemistry 氟化学

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