Benzoyl Cyanide 苯甲酰腈

CAS 613-90-1 MFCD00001837

化学结构图

613-90-1
SMILES: N#CC(=O)c1ccccc1

化学属性

Mol. FormulaC8H5NO
Mol. Weight131.13
Boiling Point206°C at 760 mmHg
Density1.106
Melting Point28-31°C
Flash Point84°C
SolubilitySLIHTLY 可溶, 分解

别名和识别编码

Chemical NameBenzoyl Cyanide
Synonym Phenylglyoxylonitrile {LY} Phenylglyoxylonitrile {} {LY} Phenylglyoxylonitrile {} {} {LY} Phenylglyoxylonitrile {} {} {} {LY} Phenylglyoxylonitrile {} {} {} {} {LY} Phenylglyoxylonitrile {} {} {} {} {} {LY} Phenylglyoxylonitrile {} {} {} {} {} {} {LY} Phenylglyoxylonitrile {} {} {} {} {} {} {} {LY} Phenylglyoxylonitrile {} {} {} {} {} {} {} {} {LY} Phenylglyoxylonitrile {} {} {} {} {} {} {} {} {} {LY} Phenylglyoxylonitrile {} {} {} {} {} {} {} {} {} {} {LY} Phenylglyoxylonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylglyoxylonitrile {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylglyoxylonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylglyoxylonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylglyoxylonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylglyoxylonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00001837
CAS Number613-90-1
PubChem Substance ID11953
EC Number210-359-7
Beilstein Registry Number1072101
Reaxys-RN1072101
Chemical Name Translation苯甲酰腈
InChIKeyGJQBHOAJJGIPRH-UHFFFAOYSA-N
LabNetwork Molecule IDLN00171119
InChIInChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H
Canonical SMILESN#CC(C1=CC=CC=C1)=O
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分类

  • {Chemicalbook} 农药中间体: 除草剂中间体: 除草剂中间体
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

产品应用

  • 氨基化合物的选择性酰化反应试剂。

相关文献及参考

  • Short: III/20a
  • Short: III/35E
  • Short: IV/20B
  • Beilstein:10,659

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H300 Fatal if swallowed 吞食致命
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
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。
  • P301+P310
  • P302+P350
  • P304+P340+P311
  • 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。
  • P332+P313
  • P337+P313
  • P403+P233
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Hazard Codes 6.1 T T,N
Safety Statements
  • 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；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
Packing GroupII
UN Number 3439
Hazard Class6.1
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

  • 外观性质:无色鳞状结晶，不溶于水，溶于醇和醚。熔点：28-31 °C沸点：206 °C密度：1.106闪点：84℃
  • 用途二:有机合成中间体。
  • MOL 文件:613-90-1.mol
  • 方法二:由苯甲酰氯与氰化亚铜反应而得。将氰化亚铜混入提纯的苯甲酰氯中加热反应，油浴温度220-230℃，保持1.5h，然后提高油浴温度将反应物进行分馏，收集208-209℃馏分而得成品。
  • 图谱信息:苯甲酰腈(613-90-1)核磁图( 13 CNMR) 苯甲酰腈(613-90-1)Raman光谱 苯甲酰腈(613-90-1)质谱(MS) 苯甲酰腈(613-90-1)核磁图( 1 HNMR) 苯甲酰腈(613-90-1)红外图谱(IR1)
  • 苯甲酰腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0835 苯甲酰氰 Benzoyl Cyanide 25G 330元 2010/06/21 383660250 苯甲酰腈 Benzoyl cyanide 95% 25 GR 505元 2010/06/21 383661000 苯甲酰腈 Benzoyl cyanide 95% 100 GR 1534元
  • 不溶于水，溶于醇和醚。
  • MSDS 信息:alpha-Oxophenylacetonitrile(613-90-1).msds
  • 海关编码:29269095
  • 用途一:苯甲酰腈是除草剂苯嗪草酮的中间体。
  • Acros Organics:Benzoyl cyanide, 95%(613-90-1)
  • F:10
  • 下游产品:苯甲酰甲酸 --> 苯甲酰甲酸甲酯
  • 上游原料:苯甲酰氯 --> 氰化亚铜
  • 方法一:其制备方法是在反应瓶中加入NaCN和溶剂甲苯，加热搅拌，在95℃下滴加苯甲酰氯，滴加完后在此温度下回流5 h，冷却后过滤，滤料蒸馏脱除甲苯，得到成品。
  • Sigma Aldrich:613-90-1(sigmaaldrich)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C8 to C9 - Cyanides/Nitriles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles
  6. C6 to C7
  1. Functional Group 官能团索引
  2. acyl cyanide

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