4,4,4-Trifluoro-1-(4-methylphenyl)butane-1,3-dione 4,4,4-三氟-1-(4-甲基苯基)丁烷-1,3-二酮

CAS 720-94-5 MFCD00517909

化学结构图

720-94-5
SMILES: Cc1ccc(C(=O)CC(=O)C(F)(F)F)cc1

化学属性

Mol. FormulaC11H9F3O2
Mol. Weight230.18
TSCANo
Melting Point44-46°C
Appearance 白色结晶
Boiling Point269.9°C at 760 mmHg

别名和识别编码

Chemical Name4,4,4-Trifluoro-1-(4-methylphenyl)butane-1,3-dione
CAS Number720-94-5
Alfabeta NameTRIFLUOROMETHYLPHENYLBUTANEDIONE 4441413()------,,,
MDL NumberMFCD00517909
Synonym 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione {LY} 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione {} {LY} 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione {} {} {LY} 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione {} {} {} {LY} 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione {} {} {} {} {LY} 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione {} {} {} {} {} {LY} 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione {} {} {} {} {} {} {LY} 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione {} {} {} {} {} {} {} {LY} 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione {} {} {} {} {} {} {} {} {LY} 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione {} {} {} {} {} {} {} {} {} {LY} 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione {} {} {} {} {} {} {} {} {} {} {LY} 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-
Chemical Name Translation4,4,4-三氟-1-(4-甲基苯基)丁烷-1,3-二酮
Reaxys-RN1966483
PubChem Substance ID550193
LabNetwork Molecule IDLN00142350
InChIInChI=1S/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3
Canonical SMILESCC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
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分类

  • Aromatics
  • Pharmaceuticals
  • Intermediates & Fine Chemicals

产品应用

  • A Celecoxib (Celebrex) intermediate.

相关文献及参考

  • Kujubu, D., et al.: J. Biol. Chem., 266, 12866 (1991),

安全信息

Warnings IRRITANT
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • S37 Wear suitable gloves 戴适当手套;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
GHS Symbol
WGK Germany3
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P333+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard Codes Xi
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 用途一:医药中间体,主要用于生产赛利可西
  • MOL 文件:720-94-5.mol

系列性分类


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