Ethyl Isonicotinate 异烟酸乙酯

CAS 1570-45-2 MFCD00006428

化学结构图

1570-45-2
SMILES: CCOC(=O)C1CCNCC1

化学属性

Mol. FormulaC8H9NO2
Mol. Weight151.16
Density1.009
Refractive index1.4980 to 1.5020
Boiling Point219.5°C at 760 mmHg
Flash Point88°C
TSCAYes
Solubility不溶
Appearance 浅黄色液体， 密度 1.009，沸点 92 ℃ ，折射率 1.4999-1.5019，闪点 87 ℃ ，不溶于水。
Melting Point23°C

别名和识别编码

Chemical NameEthyl Isonicotinate
Synonym Ethyl isonicotinate {LY} Ethyl isonicotinate {} {LY} Ethyl isonicotinate {} {} {LY} Ethyl isonicotinate {} {} {} {LY} Ethyl isonicotinate {} {} {} {} {LY} Ethyl isonicotinate {} {} {} {} {} {LY} Ethyl isonicotinate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl isonicotinate {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} Ethyl isonicotinate {} {} {} {} {} {} {} {} {LY} Ethyl isonicotinate {} {} {} {} {} {} {} {} {} {LY} Ethyl isonicotinate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl isonicotinate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl isonicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl isonicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl isonicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl isonicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl isonicotinate
MDL NumberMFCD00006428
CAS Number1570-45-2
EC Number216-379-2
Beilstein Registry Number122942
PubChem Substance ID15291
Merck Number14,5187
Chemical Name Translation异烟酸乙酯
Reaxys-RN122942
Wiswesser Line NotationT6NJ DVO2
InChIKeyMCRPKBUFXAKDKI-UHFFFAOYSA-N
LabNetwork Molecule IDLN00227188
InChIInChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3
Canonical SMILESO=C(C1=CC=NC=C1)OCC
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SA} Building Blocks, C8, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines

相关文献及参考

  • 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. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 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), carbon-13 (subvol. D), and oxygen-17 (subvol. E) 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.
  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lec

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • 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 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
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
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • 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。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+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
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSNS1450000
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#03434

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

  • 海关编码:29333999
  • TCI Shanghai:异烟碱酸乙酯 Ethyl Isonicotinate,>;98.0%(GC)(T)(1570-45-2)
  • 用途一:用作医药中间体
  • MSDS 信息:Ethyl isonicotinate(1570-45-2).msds
  • Sigma Aldrich:1570-45-2(sigmaaldrich)
  • Alfa Aesar:异烟酸乙酯,98% Ethyl isonicotinate, 98%(1570-45-2)
  • 下游产品:2-氰基吡啶-4-羧酸乙酯 --> 3-甲氧基-4-嘧啶羧基 酸 --> 4-氰基吡啶-4-羧酸 --> 异烟酰乙酸乙酯
  • Acros Organics:Ethyl isonicotinate, 99+%(1570-45-2)
  • 异烟酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0137 异烟酸乙酯 Ethyl Isonicotinate 500ML 1570元 2014/06/02 I0137 异烟酸乙酯 Ethyl Isonicotinate 25ML 293元 2010/06/21 147370050 异烟酸乙酯 Ethyl isonicotinate 99+% 5 GR 400元
  • 检测方法:GC,NMR
  • 图谱信息:异烟酸乙酯(1570-45-2)核磁图( 13 CNMR) 异烟酸乙酯(1570-45-2)质谱(MS) 异烟酸乙酯(1570-45-2)红外图谱(IR2) 异烟酸乙酯(1570-45-2)红外图谱(IR1) 异烟酸乙酯(1570-45-2)核磁图( 1 HNMR)
  • MOL 文件:1570-45-2.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyridines 吡啶

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