3′-(Trifluoromethyl)acetophenone 3′-(三氟甲基)苯乙酮

CAS 349-76-8 MFCD00000391

化学结构图

349-76-8
SMILES: CC(=O)c1cccc(C(F)(F)F)c1

化学属性

Mol. FormulaC9H7F3O
Mol. Weight188.15
Boiling Point199°C at 760 mmHg
Density1.235
Refractive index1.4610 to 1.4640
Flash Point79°C
TSCAYes
Appearance 无色液体

别名和识别编码

Chemical Name3′-(Trifluoromethyl)acetophenone
CAS Number349-76-8
Alfabeta NameTRIFLUOROMETHYLACETOPHENONE 3()-'
MDL NumberMFCD00000391
Synonym 1-[3-(Trifluoromethyl)phenyl]-1-ethanone {LY} 1-[3-(Trifluoromethyl)phenyl]-1-ethanone {} {LY} 1-[3-(Trifluoromethyl)phenyl]-1-ethanone {} {} {LY} 1-[3-(Trifluoromethyl)phenyl]-1-ethanone {} {} {} {LY} 1-[3-(Trifluoromethyl)phenyl]-1-ethanone {} {} {} {} {LY} 1-[3-(Trifluoromethyl)phenyl]-1-ethanone {} {} {} {} {} {LY} 1-[3-(Trifluoromethyl)phenyl]-1-ethanone {} {} {} {} {} {} {LY} 1-[3-(Trifluoromethyl)phenyl]-1-ethanone {} {} {} {} {} {} {} {LY} 1-[3-(Trifluoromethyl)phenyl]-1-ethanone {} {} {} {} {} {} {} {} {LY} 1-[3-(Trifluoromethyl)phenyl]-1-ethanone {} {} {} {} {} {} {} {} {} {LY} 1-[3-(Trifluoromethyl)phenyl]-1-ethanone {} {} {} {} {} {} {} {} {} {} {LY} 1-[3-(Trifluoromethyl)phenyl]-1-ethanone {} {} {} {} {} {} {} {} {} {} {} {LY} 1-[3-(Trifluoromethyl)phenyl]-1-ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-[3-(Trifluoromethyl)phenyl]-1-ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-[3-(Trifluoromethyl)phe
EC Number206-490-4
Beilstein Registry Number640151
PubChem Substance ID67682
Reaxys-RN640151
Chemical Name Translation3′-(三氟甲基)苯乙酮
LabNetwork Molecule IDLN00008703
InChIInChI=1S/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H3
Canonical SMILESCC(C1=CC=CC(C(F)(F)F)=C1)=O
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分类

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

产品应用

  • 农药中间体。

相关文献及参考

  • Short: III/35D2
  • Short: EINECS
  • Beilstein:7(3)1057

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany1
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • 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
Precautionary statements
  • 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。
  • 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。
  • 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。
  • 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。
  • 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
  • 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.....
Hazard statements
  • H227 Combustible liquid 可燃液体
  • 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
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xi
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
  • TCI Shanghai:3'-三氟甲基苯乙酮 3'-(Trifluoromethyl)acetophenone,>;97.0%(GC)(349-76-8)
  • Alfa Aesar:3'-(三氟甲基)苯乙酮,98+% 3'-(Trifluoromethyl)acetophenone, 98+%(349-76-8)
  • 用途一:用作农药中间体
  • 间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 T1546 3'-(三氟甲基)苯乙酮 3'-(Trifluoromethyl)acetophenone 25G 1400元 2014/06/02 T1546 3'-(三氟甲基)苯乙酮 3'-(Trifluoromethyl)acetophenone 5G 458元 2010/06/21 214440250 间三氟甲基苯乙酮 3'-(Trifluoromethyl)acetophenone 99% 25 GR 2168元
  • MOL 文件:349-76-8.mol
  • Hazard Note:Irritant
  • Sigma Aldrich:349-76-8(sigmaaldrich)
  • Acros Organics:间三氟甲基苯乙酮 3'-(Trifluoromethyl)acetophenone, 99%(349-76-8)
  • 合成与制备方法:间三氟甲基苯乙酮是重要的有机合成中间体,主要应用于医药,农药和染料等领域。 实验室合成方法有以下几种: 1,间三氟甲基苯甲氰于碘甲烷的格氏反应。 2,间三氟甲基苯甲酸经酰氯化后和碘甲烷的格氏反应。 3,间三氟甲基苯甲醛和重氮甲烷反应。 4,间三氟甲基苯胺重氮盐与乙醛胯反应。 5,间三氟甲基溴苯的格氏试剂与乙酐反应(以三氟甲基苯为原料,经过溴化,格氏反应后与乙酸酐反应合成间三氟甲基苯乙酮,总收率40%)。 1,2,3项方法起始原料价格贵,来源困难,收率低,危险性大,不容易工业化。 5项容易工业化氮产率太低,只有40%左右。 盐城氟源化工有限公司研究一种新方法,以间三氟甲基苯胺为原料,经过重氮化、偶合、水解合成间三氟甲基苯乙酮,其总收率78%.
  • 下游产品:2-溴-1-(3-(三氟甲基)苯基)乙酮
  • 图谱信息:间三氟甲基苯乙酮(349-76-8)Raman光谱 间三氟甲基苯乙酮(349-76-8)核磁图( 13 CNMR) 间三氟甲基苯乙酮(349-76-8)红外图谱(IR1) 间三氟甲基苯乙酮(349-76-8)质谱(MS) 间三氟甲基苯乙酮(349-76-8)核磁图( 1 HNMR)
  • MSDS 信息:3-Acetylbenzotrifluoride(349-76-8).msds

系列性分类


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