3-Fluoroanisole 3-氟苯甲醚

CAS 456-49-5 MFCD00000335

化学结构图

456-49-5
SMILES: COc1cccc(F)c1

化学属性

Mol. FormulaC7H7FO
Mol. Weight126.13
Boiling Point158.9°C at 760 mmHg
Density1.104
Refractive index1.4880 to 1.4900
Flash Point44°C
TSCANo
Melting Point-35°C
Appearance 无色透明液体

别名和识别编码

Chemical Name3-Fluoroanisole
CAS Number456-49-5
Alfabeta NameFLUOROANISOLE 3-
MDL NumberMFCD00000335
Synonym 1-Fluoro-3-methoxybenzene {LY} 1-Fluoro-3-methoxybenzene {} {LY} 1-Fluoro-3-methoxybenzene {} {} {LY} 1-Fluoro-3-methoxybenzene {} {} {} {LY} 1-Fluoro-3-methoxybenzene {} {} {} {} {LY} 1-Fluoro-3-methoxybenzene {} {} {} {} {} {LY} 1-Fluoro-3-methoxybenzene {} {} {} {} {} {} {LY} 1-Fluoro-3-methoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Fluoro-3-methoxybenzene {} {} {} {} {} {} {} {} {LY} 1-Fluoro-3-methoxybenzene {} {} {} {} {} {} {} {} {} {LY} 1-Fluoro-3-methoxybenzene {} {} {} {} {} {} {} {} {} {} {LY} 1-Fluoro-3-methoxybenzene {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Fluoro-3-methoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Fluoro-3-methoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Fluoro-3-methoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Fluoro-3-methoxybenzene {} {} {} {} {} {} {} {} {} {} {
EC Number207-267-4
Beilstein Registry Number1858895
PubChem Substance ID9975
Reaxys-RN1858895
Chemical Name Translation3-氟苯甲醚
InChIKeyMFJNOXOAIFNSBX-UHFFFAOYSA-N
LabNetwork Molecule IDLN00116377
InChIInChI=1S/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
Canonical SMILESCOC1=CC(F)=CC=C1
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分类

  • {SNA} Aryl Fluorinated Building Blocks, Building Blocks, C2 to C7, C7-C8, Chemical Synthesis, Ethers, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks, Oxygen Compounds
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ether; 1fragment

相关文献及参考

  • Short: II/19b Title: Molecular Constants: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Hüttner, W.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19b Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54578-6 ISBN: 978-3-540-54578-1 Internet Resource: DOI:10.1007/b44334 RefComment: XI, 488 pages. Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplement to the earlier volumes II/4, II/6, and II/14. The slight change in the title reflects current trends in the applications of spectroscopic methods. Together, the four volumes collect all the critically evaluated data published up to 1989/90 on constants of free molecules obtained by classical and modern spectroscopy. Volume II/19 is divided into four parts to record the growing number of investigations, especially in the microwave and millimeter wave regions, where modern techniques like Fourier Transform Microwave Spectroscopy have made new objects of interest such as molecular complexes and clusters accessible to study. Subvolume II/19b contains corresponding data on diamagnetic asymmetric top molecules.
  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nu

安全信息

Warnings FLAMMABLE
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Risk Statements
  • R10 Flammable 易燃
  • 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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P303+P361+P353
  • P305+P351+P338
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Packing GroupIII
UN Number 1993
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 3
Hazard Class3
Storage condition 2-8°C, sealed storage, away from moisture {LY} 2-8°C, sealed storage, away from moisture Flammables area Store at room temperature {} {LY} 2-8°C, sealed storage, away from moisture {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moist

其他信息

  • MOL 文件:456-49-5.mol
  • 用途一:用作医药、农药中间体
  • Alfa Aesar:3-氟苯甲醚,99% 3-Fluoroanisole, 99%(456-49-5)
  • MSDS 信息:3-Fluoroanisole(456-49-5).msds
  • Sigma Aldrich:456-49-5(sigmaaldrich)
  • Acros Organics:3-Fluoroanisole, 99%(456-49-5)
  • 3-氟苯甲醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 F0254 3-氟苯甲醚 3-Fluoroanisole 25G 526元 2014/06/02 F0254 3-氟苯甲醚 3-Fluoroanisole 10G 279元 2010/05/25 A10931 3-氟苯甲醚, 99% 3-Fluoroanisole, 99% 250g 3598元
  • 图谱信息:3-氟苯甲醚(456-49-5)红外图谱(IR1) 3-氟苯甲醚(456-49-5)质谱(MS)
  • TCI Shanghai:3-氟苯甲醚 3-Fluoroanisole,>;99.0%(GC)(456-49-5)
  • 海关编码:29093090
  • 下游产品:2-氟-6-甲氧基苯甲醛
  • Hazard Note:Flammable

系列性分类


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