2,2,2-Trifluoro-1-Phenylethanone 2,2,2-三氟苯乙酮
CAS 434-45-7 MFCD00000420
化学结构图
SMILES: O=C(c1ccccc1)C(F)(F)F
化学属性
| Mol. Formula | C8H5F3O |
|---|---|
| Mol. Weight | 174.12 |
| Boiling Point | 165-166 °C at 760 mmHg |
| TSCA | T |
| Density | 1.24 |
| Refractive index | 1.4570 to 1.4620 |
| Flash Point | 41°C(lit.) |
| Melting Point | -40°C |
| Solubility | 难溶 |
别名和识别编码
| Chemical Name | 2,2,2-Trifluoro-1-Phenylethanone |
|---|---|
| CAS Number | 434-45-7 |
| Alfabeta Name | TRIFLUOROACETOPHENONE 222-,, |
| MDL Number | MFCD00000420 |
| Synonym | 2,2,2-Trifluoro-1-phenylethan-1-one {LY} 2,2,2-Trifluoro-1-phenylethan-1-one {} {LY} 2,2,2-Trifluoro-1-phenylethan-1-one {} {} {LY} 2,2,2-Trifluoro-1-phenylethan-1-one {} {} {} {LY} 2,2,2-Trifluoro-1-phenylethan-1-one {} {} {} {} {LY} 2,2,2-Trifluoro-1-phenylethan-1-one {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-phenylethan-1-one {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-phenylethan-1-one {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-phenylethan-1-one {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-phenylethan-1-one {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-phenylethan-1-one {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-phenylethan-1-one {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-phenylethan-1-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-phenylethan-1-one {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trifluoro-1-phenylet |
| EC Number | 207-103-1 |
| Beilstein Registry Number | 7(3)962 |
| PubChem Substance ID | 9905 |
| Reaxys-RN | 1866286 |
| Chemical Name Translation | 2,2,2-三氟苯乙酮 |
| LabNetwork Molecule ID | LN00008033 |
| InChI | InChI=1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H |
| Canonical SMILES | FC(F)(F)C(C1=CC=CC=C1)=O |
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分类
- Inhibitors
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
- Pharmaceuticals
- Intermediates & Fine Chemicals
- Aromatics
- {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
产品应用
- 2,2,2-Trifluoroacetophenone is a fluorinated acetophenone with inhibitory activity of acetylcholinesterase. 2,2,2-Trifluoroacetophenone was shown to have neuroprotective activity by inhibiting apoptos
相关文献及参考
- Reaction with Dimethyl acetylenedicarboxylate, A11437, in the presence of triphenylphosphine, gives a highly-functionalized -butyrolactone: J. Org. Chem., 61, 4516 (1996):
- Short: III/35E
- In the presence of KO-t-Bu, acts as a nucleophilic trifluoromethylating agent, converting carbonyl compounds to trifluoromethyl alcohols: Tetrahedron Lett., 44, 1055 (2003).
- {
- Trifluoromethyl ketones undergo selective C-F bond cleavage with Mg in the presence of TMSCl, providing a convenient synthesis of 2,2-difluoro enol silanes: Chem. Commun., 1323 (1999).
- Short: III/38B
- Beilstein:7(3)962
- Brodbeck, U. et al.: Biochim. Biphys. Acta Enzymol., 567, 357 (1979); Kawase, M. et al.: Biol. Pharmac. Bull., 24, 1335 (2001);
- In the presence of potassium monopersulfate (Oxone ), catalyzes the epoxidation of allylic alcohols via the in situ formed dioxirane: Tetrahedron, 56, 989 (1999).
- Olefination with methanesulfonyl chloride, promoted by KF in DMF, gives ɑ -(trifluoromethyl)styrene in 92% yield: J. Org. Chem., 59, 2898 (1994).
安全信息
GHS Symbol
- 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；
- S37 Wear suitable gloves 戴适当手套；
- S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R10 Flammable 易燃
- P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
- P233 Keep container tightly closed. ?保持容器密闭。
- P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
- P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
- P241+P242+P243
- P242 Use only non-sparking tools. 只能使用无火花工具。
- P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
- 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。
- 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
- P303+P361+P353
- 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。
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P332+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
- P370+P378
- P403+P233
- P403+P235
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H226 Flammable liquid and vapour 易燃液体和蒸气
- 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
其他信息
- 实际上不溶于水。
- 海关编码:29147090
- Acros Organics:alpha,alpha,alpha-三氟苯乙酮 alpha,alpha,alpha-Trifluoroacetophenone, 99%(434-45-7)
- Sigma Aldrich:434-45-7(sigmaaldrich)
- 图谱信息:2,2,2-三氟苯乙酮(434-45-7)红外图谱(IR2) 2,2,2-三氟苯乙酮(434-45-7)核磁图( 1 HNMR) 2,2,2-三氟苯乙酮(434-45-7)红外图谱(IR1) 2,2,2-三氟苯乙酮(434-45-7)质谱(MS)
- 2,2,2-三氟苯乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0848 2,2,2-三氟苯乙酮 2,2,2-Trifluoroacetophenone 25G 669元 2014/06/02 T0848 2,2,2-三氟苯乙酮 2,2,2-Trifluoroacetophenone 5G 240元 2010/06/21 148350250 2,2,2-三氟苯乙酮 alpha,alpha,alpha-Trifluoroacetophenone 99% 25 GR 1119元
- Hazard Note:Corrosive/Lachrymatory
- Alfa Aesar:2,2,2-三氟苯乙酮,98% 2,2,2-Trifluoroacetophenone, 98%(434-45-7)
- MOL 文件:434-45-7.mol
- TCI Shanghai:2,2,2-三氟苯乙酮 2,2,2-Trifluoroacetophenone,>;98.0%(GC)(434-45-7)
- TSCA:T
- MSDS 信息:2,2,2-Trifluoroacetophenone(434-45-7).msds
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