3-Methoxypropionitrile 3-甲氧基丙腈

CAS 110-67-8 MFCD00001958

化学结构图

110-67-8
SMILES: COCCC#N

化学属性

Mol. FormulaC4H7NO
Mol. Weight85.10
Refractive index1.4010 to 1.4040
Boiling Point164-165°C at 760 mmHg
Density0.937
Flash Point65°C(lit.)
TSCAYes
Melting Point<-50°C
Solubility335 G/L (20 ºC)

别名和识别编码

Chemical Name3-Methoxypropionitrile
CAS Number110-67-8
PubChem Substance ID61032
EC Number203-790-7
Beilstein Registry Number1739284
MDL NumberMFCD00001958
Reaxys-RN1739284
Synonym 3-Methoxypropanenitrile {LY} 3-Methoxypropanenitrile {} {LY} 3-Methoxypropanenitrile {} {} {LY} 3-Methoxypropanenitrile {} {} {} {LY} 3-Methoxypropanenitrile {} {} {} {} {LY} 3-Methoxypropanenitrile {} {} {} {} {} {LY} 3-Methoxypropanenitrile {} {} {} {} {} {} {LY} 3-Methoxypropanenitrile {} {} {} {} {} {} {} {LY} 3-Methoxypropanenitrile {} {} {} {} {} {} {} {} {LY} 3-Methoxypropanenitrile {} {} {} {} {} {} {} {} {} {LY} 3-Methoxypropanenitrile {} {} {} {} {} {} {} {} {} {} {LY} 3-Methoxypropanenitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methoxypropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methoxypropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methoxypropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methoxypropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methoxypropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation3-甲氧基丙腈
Wiswesser Line NotationNC2O1
LabNetwork Molecule IDLN00221305
InChIKeyOOWFYDWAMOKVSF-UHFFFAOYSA-N
InChIInChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3
Canonical SMILESN#CCCOC
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分类

  • {uni_hamburg} no charge; ether; 1fragment
  • Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
  • {SNA} Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Beil. 3 ,IV,708
  • Aldrich MSDS 1 , 1196:A / Corp MSDS 1 (2), 2271:C / FT-NMR 1 (1), 1372:C / IR-Spectra (3), 508:F / IR-Spectra (2), 451:H / RegBook 1 (1), 1001:C / Sax 6 , 1787 / Sigma FT-IR 1 (2), 716:B / Structure Index 1 , 156:A:4 / Vapor Phase 3 , 811:B
  • Short: II/14a Title: Molecular Constants: Diamagnetic Molecules Author: Demaison, J.; Dubrulle, A.; Hüttner, W.; Tiemann, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/14a Page: 1-788 Year: 1982 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-11365-7 ISBN: 978-3-540-11365-2 Internet Resource: DOI:10.1007/b19966 RefComment: 196 figs., XI
  • Short: II/25C Title: Structure Data Of Free Polyatomic Molecules: Molecules containing Three or Four Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25C Year: 2001 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-66774-1 ISBN: 978-3-540-66774-2 Internet Resource: DOI:10.1007/b71431 RefComment: VIII, 481 pages. Hardcover Abstract: This volume contains data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc.) of free polyatomic molecules including free radicals and molecular ions. This survey on structure data is made of four subvolume, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been includ

安全信息

GHS Symbol
WGK Germany2
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
Hazard Codes Xi
RTECSTZ4870000
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
  • P302+P352+P332+P313+P362+
  • 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。
  • 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
  • P370+P378
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
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；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/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
Packing GroupIII
Hazard Class3.2
UN Number 3276 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,916,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >10 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   30,470,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4390 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   30,470,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz.  (Darmstadt, Fed.
   Rep. Ger.)  V.1-25, 1951-75.  Volume(issue)/page/year: 19,225,1969

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 3-甲氧基丙腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0653 3-甲氧基丙腈 3-Methoxypropionitrile 25ML 179元 2014/06/02 M0653 3-甲氧基丙腈 3-Methoxypropionitrile 500ML 542元 2010/06/21 257440025 3-甲氧基丙腈 3-Methoxypropionitrile 98% 2.5 LT 2404元
  • Sigma Aldrich:110-67-8(sigmaaldrich)
  • MSDS 信息:β-甲氧基丙腈(110-67-8).msds
  • 图谱信息:3-甲氧基丙腈(110-67-8)Raman光谱 3-甲氧基丙腈(110-67-8)核磁图( 1 HNMR) 3-甲氧基丙腈(110-67-8)红外图谱(IR1) 3-甲氧基丙腈(110-67-8)质谱(MS) 3-甲氧基丙腈(110-67-8)核磁图( 13 CNMR)
  • Acros Organics:3-Methoxypropionitrile, 98%(110-67-8)
  • MOL 文件:110-67-8.mol
  • 存储注意事项:湿度敏感
  • 下游产品:2-(4-甲基哌嗪-1-基)嘧啶-5-甲胺 --> 硝酸硫胺 --> 盐酸硫胺 --> Α-二甲氧甲基-Β-甲氧基丙腈 --> 溴莫普林
  • 海关编码:29269095
  • Alfa Aesar:3-甲氧基丙基腈,99% 3-Methoxypropionitrile, 99%(110-67-8)
  • TCI Shanghai:3-甲氧基丙腈 3-Methoxypropionitrile,>;99.0%(GC)(110-67-8)
  • 外观性质:无色液体。
  • 用途一:用于有机合成，也用作塑料聚合物的良好溶剂
  • 用途二:3-甲氧基丙腈（110-67-8）是甲氧苄氨嘧啶的中间体。也是一种很好的溶剂，可作塑料聚合的溶剂，可代替糖醛分离丁二烯。

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. Cyanides/Nitriles - 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. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C1 to C5 - 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

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