Benzoylacetonitrile 苯甲酰乙腈

CAS 614-16-4 MFCD00001942

化学结构图

614-16-4
SMILES: N#CCC(=O)c1ccccc1

化学属性

Mol. FormulaC9H7NO
Mol. Weight145.16
Boiling Point160°C at 760 mmHg
Melting Point82-83°C
Density1.422
TSCAYes
Solubility略溶于水
Flash Point159-160°C/10mm
Appearance 白色至类白色结晶性粉末,熔点 78-82℃,沸点 160℃,略溶于水

别名和识别编码

Chemical NameBenzoylacetonitrile
CAS Number614-16-4
Alfabeta NameBENZOYLACETONITRILE
MDL NumberMFCD00001942
Synonym 3-Oxo-3-phenylpropanenitrile {LY} 3-Oxo-3-phenylpropanenitrile {} {LY} 3-Oxo-3-phenylpropanenitrile {} {} {LY} 3-Oxo-3-phenylpropanenitrile {} {} {} {LY} 3-Oxo-3-phenylpropanenitrile {} {} {} {} {LY} 3-Oxo-3-phenylpropanenitrile {} {} {} {} {} {LY} 3-Oxo-3-phenylpropanenitrile {} {} {} {} {} {} { {} {} {} {} {} {} {LY} 3-Oxo-3-phenylpropanenitrile {} {} {} {} {} {} {} {LY} 3-Oxo-3-phenylpropanenitrile {} {} {} {} {} {} {} {} {LY} 3-Oxo-3-phenylpropanenitrile {} {} {} {} {} {} {} {} {} {LY} 3-Oxo-3-phenylpropanenitrile {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxo-3-phenylpropanenitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxo-3-phenylpropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxo-3-phenylpropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxo-3-phenylpropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Ox
EC Number210-369-1
Beilstein Registry Number386745
PubChem Substance ID64799
Chemical Name Translation苯甲酰乙腈
Reaxys-RN386745
InChIKeyZJRCIQAMTAINCB-UHFFFAOYSA-N
LabNetwork Molecule IDLN00005762
InChIInChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
Canonical SMILESN#CCC(C1=CC=CC=C1)=O
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分类

  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • Miscellaneous Reagents
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

产品应用

  • Used as a building block for the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics.

相关文献及参考

  • Short: IV/20C
  • Short: EINECS
  • Active methylene compound, useful in heterocyclic synthesis, e.g. polyfunctional pyridines and pyrimidines: Synthesis, 775 (1989). Reaction with tosic anhydride, followed by diethyl aminomalonate provides a short, facile synthesis of 3-aminopyrrole-2-carboxylates: J. Org. Chem., 65, 2603 (2000):
  • Herschhorn, A., et al.: J. Med. Chem., 50, 3402 (2007),

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • 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 Wear suitable protective clothing 穿戴适当的防护服;
  • 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
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • 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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • 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+P312+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H302+H312+H332
  • H332 Harmful if inhaled 吸入有害
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn Xn,Xi
Packing GroupIII
UN Number 3276
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 苯甲酰乙腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0098 苯甲酰乙腈 Benzoylacetonitrile 5G 624元 2014/06/02 B0098 苯甲酰乙腈 Benzoylacetonitrile 25G 1630元 2010/06/21 402000050 苯甲酰乙腈 Benzoylacetonitrile 98+% 5 GR 447元
  • 图谱信息:苯甲酰乙腈(614-16-4)红外图谱(IR1) 苯甲酰乙腈(614-16-4)核磁图( 1 HNMR) 苯甲酰乙腈(614-16-4)红外图谱(IR2) 苯甲酰乙腈(614-16-4)核磁图( 13 CNMR) 苯甲酰乙腈(614-16-4)质谱(MS)
  • Alfa Aesar:苯甲酰乙晴,98+% Benzoylacetonitrile, 98+%(614-16-4)
  • Acros Organics:苯氧基 Benzoylacetonitrile, 98+%(614-16-4)
  • 上游原料:甲醇 --> 乙醚 --> 硫酸 --> 钠 --> 碳酸氢钠 --> 乙腈 --> 苯甲酸乙酯
  • Sigma Aldrich:614-16-4(sigmaaldrich)
  • Hazard Note:Harmful/Irritant
  • MSDS 信息:Cyanoacetophenone(614-16-4).msds
  • MOL 文件:614-16-4.mol
  • TCI Shanghai:苯甲酰乙腈 Benzoylacetonitrile,>;98.0%(GC)(614-16-4)

系列性分类


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