3-Methylfuran 3-甲基呋喃

CAS 930-27-8 MFCD00060134

化学结构图

930-27-8
SMILES: Cc1ccoc1

化学属性

Mol. FormulaC5H6O
Mol. Weight82.10
Refractive index1.4310 to 1.4340
Density0.92
Flash Point-22 ºC
Boiling Point66°C(lit.)
Appearance 无色液体。沸点为65.5℃，相对密度0.932（18/4℃），折光率1.4255（18℃）。溶于乙醇和乙醚，不溶于水。

别名和识别编码

Chemical Name3-Methylfuran
CAS Number930-27-8
Synonym 3-Methylfuran {LY} 3-Methylfuran 3-Methylfuran (stabilized with HQ) 3-methyl-fura 3-methyl-furan 3-methylfuran 3-甲基呋喃 3-甲基呋喃-氘代甲基 Furan, 3-methyl- NSC 346905 {} {LY} 3-Methylfuran {} {} {LY} 3-Methylfuran {} {} {} {LY} 3-Methylfuran {} {} {} {} {LY} 3-Methylfuran {} {} {} {} {} {LY} 3-Methylfuran {} {} {} {} {} {} {LY} 3-Methylfuran {} {} {} {} {} {} {} {LY} 3-Methylfuran {} {} {} {} {} {} {} {} {LY} 3-Methylfuran {} {} {} {} {} {} {} {} {} {LY} 3-Methylfuran {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylfuran {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylfuran {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylfuran {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylfuran {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylfuran {} {} {} {} {} {} {}
MDL NumberMFCD00060134
Reaxys-RN104217
Beilstein Registry Number17(5)1,330
PubChem Substance ID13587
Chemical Name Translation3-甲基呋喃
Wiswesser Line NotationT5OJ C1
LabNetwork Molecule IDLN01294951
InChIInChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3
Canonical SMILESCC1=COC=C1
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分类

  • {SA} Building Blocks, C4 to C7, Chemical Synthesis, Furans, Heterocyclic Building Blocks, New Products for Chemical Synthesis
  • Heterocycles
  • {SNA} Building Blocks, C4 to C7, Chemical Synthesis, Furans, Heterocyclic Building Blocks
  • {uni_hamburg} no charge; oxygen heterocycle; aromatic; 5ring; ether; 1fragment

产品应用

  • 3-Methylfuran is a volatile organic compound (VOCs) used as a potential non-intrusive tool for screening of lung cancer.

相关文献及参考

  • McWilliams, et al.: Curr. Oncol. Rep., 4, 487 (2002),
  • Buszewski, B., et al.: Biomed. Chromatogr., 21, 553 (2007),
  • Ligor, T., et al.: J. Breath. Res., 1, 1 (2007),
  • 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/25D Title: Structure Data of Free Polyatomic Molecules: Molecules Containing Five or More 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/25D Year: 2003 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-42860-7 ISBN: 978-3-540-42860-2 Internet Resource: DOI:10.1007/b75952 RefComment: VIII, 569 pages. Hardcover RefComment: Written for scientists and researchers in the fields of chemistry and physics Abstract: This fourth subvolume presents 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. The survey on structure data consists of four subvolumes, 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 included as far as they are available. In thi

安全信息

RTECSLU2630000
UN Number 1993
Signal word Danger
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。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • 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。
  • 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
  • P304+P340
  • P304+P340+P312
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P370+P378
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition 0-10 0-10°C Refrigerator
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
  • H331 Toxic if inhaled 吸入中毒
Hazard Codes F;T T-F,T,F F,Xn
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • S38 In case of insufficient ventilation wear suitable respiratory equipment 通风不良时，佩带适当的呼吸器；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Risk Statements
  • R23 Toxic by inhalation 吸入有毒
  • R11 Highly flammable 非常易燃
  • R22 Harmful if swallowed 吞咽有害
Packing GroupII
Hazard Class3
GHS Symbol 
TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3022 mg/m3/1H
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - respiratory depression
   Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   72,124,1984

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6651 mg/m3/1H
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Skin and Appendages - hair
   Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
   EXMPA6 Experimental and Molecular Pathology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1962-  Volume(issue)/page/year:
   39,342,1983

WGK Germany3

其他信息

  • 3-甲基呋喃价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0939 3-甲基呋喃(含稳定剂HQ) 3-Methylfuran (stabilized with HQ) 5G 6780元 2014/06/02 M0939 3-甲基呋喃(含稳定剂HQ) 3-Methylfuran (stabilized with HQ) 1G 2110元 2010/06/21 342300010 3-甲基呋喃 3-Methylfuran 98% 1 GR 2069元
  • 方法一:由3-甲基-2-呋喃羧酸加入干燥的喹啉中，加铜粉作催化剂。加热至约250℃，喹啉呈沸腾状态，反应逸出二氧化碳。反应后进行蒸馏，即得3-甲基呋喃，收率约85%。
  • 上游原料:铜 --> 喹啉 --> 糠酸
  • MSDS 信息:3-Methylfuran(930-27-8).msds
  • 用途一:有作有机合成中间体和溶剂。
  • Acros Organics:3-Methylfuran, 98%(930-27-8)
  • 图谱信息:3-甲基呋喃(930-27-8)核磁图( 13 CNMR) 3-甲基呋喃(930-27-8)红外图谱(IR1) 3-甲基呋喃(930-27-8)质谱(MS) 3-甲基呋喃(930-27-8)核磁图( 1 HNMR)
  • Sigma Aldrich:930-27-8(sigmaaldrich)
  • TCI Shanghai:3-甲基呋喃(含稳定剂氢醌) 3-Methylfuran (stabilized with HQ),>;98.0%(GC)(930-27-8)
  • MOL 文件:930-27-8.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. Furans 呋喃
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. METI - MZ - M
  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. Furans 呋喃
  5. C4 to C7 - Furans

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