Ethyl 2-Cyano-2-Phenylacetate 苯基氰基乙酸乙酯

CAS 4553-07-5 MFCD00001866

化学结构图

4553-07-5
SMILES: CCOC(=O)C(C#N)C1CCCCC1

化学属性

Mol. FormulaC11H11NO2
Mol. Weight189.21
Refractive index1.5020 to 1.5050
Boiling Point275°C at 760 mmHg
Density1.09 g/mL at 25 °C(lit.)
Flash Point>110°(230°F)
TSCANo

别名和识别编码

Chemical NameEthyl 2-Cyano-2-Phenylacetate
Synonym Ethyl 2-cyano-2-phenylacetate {LY} Ethyl 2-cyano-2-phenylacetate {} {LY} Ethyl 2-cyano-2-phenylacetate {} {} {LY} Ethyl 2-cyano-2-phenylacetate {} {} {} {LY} Ethyl 2-cyano-2-phenylacetate {} {} {} {} {LY} Ethyl 2-cyano-2-phenylacetate {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylacetate {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylacetate {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylacetate {} {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylacetate {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylacetate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-cyano-2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00001866
CAS Number4553-07-5
PubChem Substance ID95298
EC Number224-921-4
Beilstein Registry Number9,854
Alfabeta NameETHYLCYANOPHENYLACETATE 22---
Chemical Name Translation苯基氰基乙酸乙酯
Reaxys-RN611232
InChIKeySXIRJEDGTAKGKU-UHFFFAOYSA-N
LabNetwork Molecule IDLN00183415
InChIInChI=1S/C11H11NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3
Canonical SMILESCCOC(=O)C(C#N)C1=CC=CC=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; racemate; 1fragment
  • {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • 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)
  • 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: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302+H312+H332
  • H332 Harmful if inhaled 吸入有害
  • H315 Causes skin irritation 会刺激皮肤
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • 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。
  • P304+P340+P312
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P332+P313
  • P302+P352+P312+P362+P364
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P305+P351+P338+P337+P313
Signal word Warning
Hazard Codes Xn
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
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
  • R20/21 Harmful by inhalation and in contact with skin 吸入及与皮肤接触有害
Warnings IRRITANT
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
Packing GroupIII
Hazard Class6.1
UN Number UN3276

其他信息

  • 图谱信息:苯基氰基乙酸乙酯(4553-07-5)红外图谱(IR1) 苯基氰基乙酸乙酯(4553-07-5)核磁图( 1 HNMR) 苯基氰基乙酸乙酯(4553-07-5)核磁图( 13 CNMR) 苯基氰基乙酸乙酯(4553-07-5)质谱(MS)
  • Sigma Aldrich:4553-07-5(sigmaaldrich)
  • MOL 文件:4553-07-5.mol
  • 苯基氰基乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P1255 苯基氰基乙酸乙酯 Ethyl Phenylcyanoacetate 5G 403元 2014/06/02 P1255 苯基氰基乙酸乙酯 Ethyl Phenylcyanoacetate 25G 1240元 2010/06/21 118830050 苯基氰基乙酸乙酯 Ethyl phenylcyanoacetate 97% 5 GR 492元
  • Acros Organics:苯基氰基乙酸乙酯 Ethyl phenylcyanoacetate, 97%(4553-07-5)
  • Alfa Aesar:苯基氰基乙酸乙酯,98% Ethyl phenylcyanoacetate, 98%(4553-07-5)
  • TCI Shanghai:苯基氰基乙酸乙酯 Ethyl Phenylcyanoacetate,>;95.0%(GC)(4553-07-5)

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. Isocyanates - 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. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C10 to C11 - Esters
  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. Esters

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