4-(Trifluoroacetyl)toluene 4'-甲基-2,2,2-三氟苯乙酮

CAS 394-59-2 MFCD00052338

化学结构图

394-59-2
SMILES: Cc1ccc(C(=O)C(F)(F)F)cc1

化学属性

Mol. FormulaC9H7F3O
Mol. Weight188.15
Boiling Point70-72 °C at 15 mmHg
Refractive index1.4680 to 1.4720
TSCANo
Flash Point70-72°C/15mm
Melting Point5 °C

别名和识别编码

Chemical Name4'-Methyl-2,2,2-trifluoroacetophenone
CAS Number394-59-2
Alfabeta NameTRIFLUOROACETYLTOLUENE 4()-
MDL NumberMFCD00052338
Synonym 2,2,2-Trifluoro-1-(p-tolyl)ethanone {LY} 2,2,2-Trifluoro-1-(p-tolyl)ethanone {} {LY} 2,2,2-Trifluoro-1-(p-tolyl)ethanone {} {} {LY} 2,2,2-Trifluoro-1-(p-tolyl)ethanone {} {} {} {LY} 2,2,2-Trifluoro-1-(p-tolyl)ethanone {} {} {} {} {LY} 2,2,2-Trifluoro-1-(p-tolyl)ethanone {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(p-tolyl)ethanone {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(p-tolyl)ethanone {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(p-tolyl)ethanone {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(p-tolyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(p-tolyl)ethanone {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(p-tolyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(p-tolyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(p-tolyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(p-tolyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-(p
Beilstein Registry Number7(4)704
Reaxys-RN1870406
PubChem Substance ID136237
Chemical Name Translation4'-甲基-2,2,2-三氟苯乙酮
InChIKeyDYILUJUELMWXAL-UHFFFAOYSA-N
LabNetwork Molecule IDLN00117342
InChIInChI=1S/C9H7F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5H,1H3
Canonical SMILESO=C(C(F)(F)F)C1=CC=C(C)C=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 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: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.

安全信息

Warnings IRRITANT
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
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；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • 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
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。
  • P264+P265
  • 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。
  • 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。
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Codes Xi
GHS Symbol
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

  • 4-(三氟乙酰基)甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T1973 2,2,2-三氟-4'-甲基苯乙酮 2,2,2-Trifluoro-4'-methylacetophenone 5G 2620元 2014/06/02 T1973 2,2,2-三氟-4'-甲基苯乙酮 2,2,2-Trifluoro-4'-methylacetophenone 1G 902元 2010/05/25 L12424 4-(三氟乙酰基)甲苯, 97% 4-(Trifluoroacetyl)toluene, 97% 5g 2772元
  • Hazard Note:Irritant
  • 图谱信息:4-(三氟乙酰基)甲苯(394-59-2)质谱(MS) 4-(三氟乙酰基)甲苯(394-59-2)红外图谱(IR1) 4-(三氟乙酰基)甲苯(394-59-2)核磁图( 1 HNMR) 4-(三氟乙酰基)甲苯(394-59-2)核磁图( 13 CNMR)
  • MOL 文件:394-59-2.mol
  • Alfa Aesar:4-(三氟乙酰基)甲苯,97% 4-(Trifluoroacetyl)toluene, 97%(394-59-2)
  • TCI Shanghai:2,2,2-三氟-4'-甲基苯乙酮 2,2,2-Trifluoro-4'-methylacetophenone,>;96.0%(GC)(394-59-2)

系列性分类

  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

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