2-Acetoxybenzonitrile 2-乙酰氧基苄腈

CAS 5715-02-6 MFCD00017360

化学结构图

5715-02-6
SMILES: CC(=O)Oc1ccccc1C#N

化学属性

Mol. FormulaC9H7NO2
Mol. Weight161.16
Refractive index1.5150 to 1.5170
TSCANo
Boiling Point254°C(lit.)
Melting Point252-254 °C
Density1.14

别名和识别编码

Chemical Name2-Acetoxybenzonitrile
Synonym 2-Acetoxybenzonitrile {LY} 2-Acetoxybenzonitrile {} {LY} 2-Acetoxybenzonitrile {} {} {LY} 2-Acetoxybenzonitrile {} {} {} {LY} 2-Acetoxybenzonitrile {} {} {} {} {LY} 2-Acetoxybenzonitrile {} {} {} {} {} {LY} 2-Acetoxybenzonitrile {} {} {} {} {} {} {LY} 2-Acetoxybenzonitrile {} {} {} {} {} {} {} {LY} 2-Acetoxybenzonitrile {} {} {} {} {} {} {} {} {LY} 2-Acetoxybenzonitrile {} {} {} {} {} {} {} {} {} {LY} 2-Acetoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00017360
CAS Number5715-02-6
Reaxys-RN2576295
PubChem Substance ID79791
EC Number227-210-7
Beilstein Registry Number2576295
Chemical Name Translation2-乙酰氧基苄腈
InChIKeyXXLKCUTUGWSJJO-UHFFFAOYSA-N
LabNetwork Molecule IDLN01740006
InChIInChI=1S/C9H7NO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-5H,1H3
Canonical SMILESCC(=O)OC1=CC=CC=C1C#N
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment

相关文献及参考

  • 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: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.e

安全信息

Signal word
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
  • 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
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+P312
  • P301+P312+P330
  • P301+P317
  • P302+P350
  • P302+P352
  • P302+P352+P312+P362+P364
  • P304+P312
  • P304+P340
  • P304+P340+P312
  • 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。
  • 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
  • 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
  • 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.....
Safety Statements
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • 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；
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
  • 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 Xi
GHS Symbol
Storage condition

其他信息

  • TCI Shanghai:2-乙酰氧基苯甲腈 2-Acetoxybenzonitrile,>;97.0%(GC)(5715-02-6)
  • Hazard Note:Irritant
  • 2-乙酸基苯甲腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A1118 2-乙酰氧基苯甲腈 2-Acetoxybenzonitrile 25G 1130元
  • MOL 文件:5715-02-6.mol

系列性分类

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