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)phenyl
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

  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. 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. Ketones 酮
  6. C7 to C8

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