2-Phenylbutanenitrile 2-苯基丁腈

CAS 769-68-6 MFCD00001876

化学结构图

769-68-6
SMILES: CCC(C#N)c1ccccc1

化学属性

Mol. FormulaC10H11N
Mol. Weight145.21
Refractive indexn20/D 1.5086(lit.)
Boiling Point114-115 °C at 15 mmHg
Density0.974 g/mL at 25 °C(lit.)
Flash Point105°(221°F)
TSCAYes
Appearance 无色液体。沸点238-240℃，141-143℃（1.06kPa），114-115℃（0.2kPa）。溶于苯、乙醚、乙醇。

别名和识别编码

Chemical Name2-Phenylbutyronitrile
MDL NumberMFCD00001876
CAS Number769-68-6
Synonym 2-Phenylbutanenitrile {LY} 2-Phenylbutanenitrile {} {LY} 2-Phenylbutanenitrile {} {} {LY} 2-Phenylbutanenitrile {} {} {} {LY} 2-Phenylbutanenitrile {} {} {} {} {LY} 2-Phenylbutanenitrile {} {} {} {} {} {LY} 2-Phenylbutanenitrile {} {} {} {} {} {} {LY} 2-Phenylbutanenitrile {} {} {} {} {} {} {} {LY} 2-Phenylbutanenitrile {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanenitrile {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanenitrile {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbutanenitrile {}
PubChem Substance ID95334
EC Number212-213-8
Chemical Name Translation2-苯基丁腈
InChIKeyIZPUPXNVRNBDSW-UHFFFAOYSA-N
LabNetwork Molecule IDLN02124544
InChIInChI=1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3
Canonical SMILESCCC(C1=CC=CC=C1)C#N
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分类

  • {SNA} Building Blocks, C10 to C27, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • H312 Harmful in contact with skin 皮肤接触有害
  • H332 Harmful if inhaled 吸入有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
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+P312
  • P301+P317
  • P302+P352
  • P304+P312
  • P304+P340
  • 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。
  • P317
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Packing GroupIII
UN Number UN3276 3276
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
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • 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；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
Hazard Codes Xn
Hazard Class6.1
Storage condition

其他信息

  • 方法一:由苯乙腈与溴乙烷经缩合反应而制得。将氨钠的苯溶液温度控制在15-20℃，加入苯乙腈，维持同一温度区间滴加溴乙烷。加毕，升温回流4h。加水静置，分取苯层，回收苯后进行减压蒸馏，收集120-150℃（0.2kPa）馏分，即为2-苯基丁腈。收率约90%。
  • 上游原料:溴乙烷
  • MOL 文件:769-68-6.mol
  • Alfa Aesar:2-苯基丁腈,98% 2-Phenylbutyronitrile, 95%(769-68-6)
  • 用途一:用作医药中间体。

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
  6. C10 to C27 - 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 - Nitrogen Compounds
  6. C10 to C27 - Cyanides/Nitriles

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