Ethyl 2-cyano-2-phenylbutanoate 2-氰基-2-苯基丁酸乙酯

CAS 718-71-8 MFCD00068977

化学结构图

718-71-8
SMILES: CCOC(=O)C(C#N)(CC)c1ccccc1

化学属性

Mol. FormulaC13H15NO2
Mol. Weight217.26
Boiling Point326.6°C at 760 mmHg

别名和识别编码

Chemical NameEthyl 2-cyano-2-phenylbutanoate
CAS Number718-71-8
Synonym Ethyl 2-cyano-2-phenylbutanoate {LY} Ethyl 2-cyano-2-phenylbutanoate {} {LY} Ethyl 2-cyano-2-phenylbutanoate {} {} {LY} Ethyl 2-cyano-2-phenylbutanoate {} {} {} {LY} Ethyl 2-cyano-2-phenylbutanoate {} {} {} {} {LY} Ethyl 2-cyano-2-phenylbutanoate {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylbutanoate {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylbutanoate {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylbutanoate {} {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylbutanoate {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylbutanoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylbutanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylbutanoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylbutanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylbutanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylbutanoate {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00068977
Chemical Name Translation2-氰基-2-苯基丁酸乙酯
InChIKeyVCJAUIYSQAXNGB-UHFFFAOYSA-N
LabNetwork Molecule IDLN00220426
PubChem Substance ID250114
InChIInChI=1S/C13H15NO2/c1-3-13(10-14,12(15)16-4-2)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3
Canonical SMILESCCC(C#N)(C1=CC=CC=C1)C(=O)OCC
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分类

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

相关文献及参考

  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: IV/20C Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20C Year: 2001 Keyword: organic compounds; vapor pressure ISBN: 3-540-41060-0 ISBN: 978-3-540-41060-7 Internet Resource: DOI:10.1007/b88812 RefComment: VII, 197 pages

安全信息

Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P302+P352
  • P305+P351+P338
  • P308+P313
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+P313
  • 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
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

系列性分类

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