4'-(Trifluoromethyl)acetophenone 对三氟甲基苯乙酮

CAS 709-63-7 MFCD00000401

化学结构图

709-63-7
SMILES: CC(=O)c1ccc(C(F)(F)F)cc1

化学属性

Mol. FormulaC9H7F3O
Mol. Weight188.15
Boiling Point79-80°C at 8 mmHg
Melting Point30-33°C
Density0.924
Refractive index1.4620
Flash Point84.4 °C
TSCANo

别名和识别编码

Chemical Name4'-(Trifluoromethyl)acetophenone
CAS Number709-63-7
Alfabeta NameTRIFLUOROMETHYLACETOPHENONE 4()-'
MDL NumberMFCD00000401
Synonym 1-(4-(Trifluoromethyl)phenyl)ethanone {LY} 1-(4-(Trifluoromethyl)phenyl)ethanone {} {LY} 1-(4-(Trifluoromethyl)phenyl)ethanone {} {} {LY} 1-(4-(Trifluoromethyl)phenyl)ethanone {} {} {} {LY} 1-(4-(Trifluoromethyl)phenyl)ethanone {} {} {} {} {LY} 1-(4-(Trifluoromethyl)phenyl)ethanone {} {} {} {} {} {LY} 1-(4-(Trifluoromethyl)phenyl)ethanone {} {} {} {} {} {} {LY} 1-(4-(Trifluoromethyl)phenyl)ethanone {} {} {} {} {} {} {} {LY} 1-(4-(Trifluoromethyl)phenyl)ethanone {} {} {} {} {} {} {} {} {LY} 1-(4-(Trifluoromethyl)phenyl)ethanone {} {} {} {} {} {} {} {} {} {LY} 1-(4-(Trifluoromethyl)phenyl)ethanone {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-(Trifluoromethyl)phenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-(Trifluoromethyl)phenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-(Trifluoromethyl)phenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-(Trifluoromethyl)phenyl)ethanone {} {} {} {} {} {} {} {} {} {}
EC Number211-913-0
Beilstein Registry Number1870425
PubChem Substance ID87577517
Reaxys-RN1870425
Chemical Name Translation对三氟甲基苯乙酮
InChIKeyHHAISVSEJFEWBZ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00119399
Canonical SMILESC1=C(C=CC(=C1)C(C)=O)C(F)(F)F
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分类

  • {SNA} Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment

产品应用

  • A labelled acetophenone with selective antimycobacterial activity.

相关文献及参考

  • Parkinson, A., et al.: J. Biol. Chem., 261, 11487 (1986),
  • Ko, H., et al.: Bioorg. Med. Chem., 11, 105 (2003),
  • 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, KEEP COLD
Signal word Warning
GHS Symbol
WGK Germany3
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；
Risk Statements
  • R11 Highly flammable 非常易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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。
  • 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+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+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
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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes F;Xi Xi Xi,F
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

  • 海关编码:29147090
  • Alfa Aesar:4-三氟甲基苯乙酮,98+% 4'-(Trifluoromethyl)acetophenone, 98+%(709-63-7)
  • Sigma Aldrich:709-63-7(sigmaaldrich)
  • MSDS 信息:1-[4-(Trifluoromethyl)phenyl]ethan-1-one(709-63-7).msds
  • Acros Organics:对三氟甲基苯乙酮 4'-(Trifluoromethyl)acetophenone, 99%(709-63-7)
  • MOL 文件:709-63-7.mol
  • Hazard Note:Irritant
  • 4'-三氟甲基苯乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T1784 4'-(三氟甲基)苯乙酮 4'-(Trifluoromethyl)acetophenone 5G 669元 2014/06/02 T1784 4'-(三氟甲基)苯乙酮 4'-(Trifluoromethyl)acetophenone 25G 2270元 2014/06/02 T1784 4'-(三氟甲基)苯乙酮 4'-(Trifluoromethyl)acetophenone 1G 260元
  • 图谱信息:4'-三氟甲基苯乙酮(709-63-7)红外图谱(IR2) 4'-三氟甲基苯乙酮(709-63-7)核磁图( 13 CNMR) 4'-三氟甲基苯乙酮(709-63-7)核磁图( 1 HNMR) 4'-三氟甲基苯乙酮(709-63-7)Raman光谱 4'-三氟甲基苯乙酮(709-63-7)质谱(MS) 4'-三氟甲基苯乙酮(709-63-7)红外图谱(IR1)
  • TCI Shanghai:4'-三氟甲基苯乙酮 4'-(Trifluoromethyl)acetophenone,>;98.0%(GC)(709-63-7)

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
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C9 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones 酮
  6. C7 to C8

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