4-Acetylbenzonitrile 4-乙酰基苯腈

CAS 1443-80-7 MFCD00001825

化学结构图

1443-80-7
SMILES: CC(=O)c1ccc(C#N)cc1

化学属性

Mol. FormulaC9H7NO
Mol. Weight145.16
Melting Point56-59°C
TSCANo
Boiling Point95-96 °C at 14 mmHg
Flash Point95-96°C/14mm

别名和识别编码

Chemical NameBenzonitrile, 4-​acetyl-
CAS Number1443-80-7
Alfabeta NameACETYLBENZONITRILE 4-
MDL NumberMFCD00001825
Synonym 4-Acetylbenzonitrile {LY} 4-Acetylbenzonitrile {} {LY} 4-Acetylbenzonitrile {} {} {LY} 4-Acetylbenzonitrile {} {} {} {LY} 4-Acetylbenzonitrile {} {} {} {} {LY} 4-Acetylbenzonitrile {} {} {} {} {} {LY} 4-Acetylbenzonitrile {} {} {} {} {} {} {LY} 4-Acetylbenzonitrile {} {} {} {} {} {} {} {LY} 4-Acetylbenzonitrile {} {} {} {} {} {} {} {} {LY} 4-Acetylbenzonitrile {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 4-Acetylbenzonitrile {} {} {} {} {} {} {} {} {} {} {LY} 4-Acetylbenzonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Acetylbenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Acetylbenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Acetylbenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Acetylbenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Acetylbenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-
PubChem Substance ID74044
Beilstein Registry Number10,695
EC Number215-885-0
Reaxys-RN1932887
Chemical Name Translation4-乙酰基苯腈
InChIKeyNLPHXWGWBKZSJC-UHFFFAOYSA-N
LabNetwork Molecule IDLN00173060
InChIInChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3
Canonical SMILESCC(C1=CC=C(C#N)C=C1)=O
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分类

  • Isotope Labelled Compounds
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Greener Alternative Products, Nitrogen Compounds, Organic Building Blocks, Re-engineered Products
  • Pharmaceuticals
  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment

产品应用

  • Used in the preparation of antimalarial isonitriles.

相关文献及参考

  • Singh, C. et al.; Bioorgan. Med. Chem. Lett. 12, 2277 (2002)
  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Sou

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • 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；
  • 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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Packing GroupIII
UN Number 3439 3276 UN3439
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
  • R22 Harmful if swallowed 吞咽有害
  • 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
Hazard Codes Xn Xn,Xi
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。
  • P264+P265
  • 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 IF SWALLOWED: 如果吞下去
  • P301+P310+P330
  • P301+P312
  • P301+P317
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Class6.1
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

  • 下游产品:4-(1,2,3-噻唑-4-基)苯甲酰氯 --> 4-(1,2,3-噻二唑-4-基)苯甲酸 --> 4-[4-(1,2,3-噻重氮)]苯甲腈
  • 图谱信息:对氰基苯乙酮(1443-80-7)红外图谱(IR1) 对氰基苯乙酮(1443-80-7)红外图谱(IR2) 对氰基苯乙酮(1443-80-7)Raman光谱 对氰基苯乙酮(1443-80-7)核磁图( 1 HNMR) 对氰基苯乙酮(1443-80-7)核磁图( 13 CNMR) 对氰基苯乙酮(1443-80-7)质谱(MS)
  • MOL 文件:1443-80-7.mol
  • TCI Shanghai:4'-氰基苯乙酮 4'-Cyanoacetophenone,>;95.0%(GC)(1443-80-7)
  • Hazard Note:Harmful/Irritant
  • 对氰基苯乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1141 4'-氰基苯乙酮 4'-Cyanoacetophenone 10G 584元 2014/06/02 C1141 4'-氰基苯乙酮 4'-Cyanoacetophenone 25G 1080元 2010/06/21 167580050 对氰基苯乙酮 4-Acetylbenzonitrile 98+% 5 GR 329元
  • Sigma Aldrich:1443-80-7(sigmaaldrich)
  • Alfa Aesar:4-乙酰基苯甲腈,99% 4-Acetylbenzonitrile, 99%(1443-80-7)
  • Acros Organics:4-乙酰苯甲腈 4-Acetylbenzonitrile, 98+%(1443-80-7)

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)
  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 - 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. Carbonyl Compounds 羰基化合物
  5. Aromatic Ketones
  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. Materials Science 材料科学
  2. Building Blocks for Liquid Crystals

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