2-Fluoro-1,3-dimethylbenzene 1,3-二甲基-2-氟苯

CAS 443-88-9 MFCD00039215

化学结构图

443-88-9
SMILES: Cc1cccc(C)c1F

化学属性

Mol. FormulaC8H9F
Mol. Weight124.16
Density0.988
Boiling Point143.9°C at 760 mmHg
Refractive index1.4770 to 1.4810
Flash Point30.4°C
TSCANo

别名和识别编码

Chemical Name2-Fluoro-1,3-dimethylbenzene
Synonym 2-Fluoro-1,3-dimethylbenzene {LY} 2-Fluoro-1,3-dimethylbenzene {} {LY} 2-Fluoro-1,3-dimethylbenzene {} {} {LY} 2-Fluoro-1,3-dimethylbenzene {} {} {} {LY} 2-Fluoro-1,3-dimethylbenzene {} {} {} {} {LY} 2-Fluoro-1,3-dimethylbenzene {} {} {} {} {} {LY} 2-Fluoro-1,3-dimethylbenzene {} {} {} {} {} {} {LY} 2-Fluoro-1,3-dimethylbenzene {} {} {} {} {} {} {} {LY} 2-Fluoro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {LY} 2-Fluoro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {} {LY} 2-Fluoro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {LY} 2-Fluoro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Fluoro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Fluoro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Fluoro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Fluoro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00039215
PubChem Substance ID123065
CAS Number443-88-9
EC Number207-144-5
Reaxys-RN1857413
Beilstein Registry Number1857413
Chemical Name Translation1,3-二甲基-2-氟苯
InChIKeyJTAUTNBVFDTYTI-UHFFFAOYSA-N
LabNetwork Molecule IDLN00219080
InChIInChI=1S/C8H9F/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
Canonical SMILESCC1=C(F)C(C)=CC=C1
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分类

  • {SNA} Aryl, Aryl Fluorinated Building Blocks, Building Blocks, C7-C8, C8, Chemical Synthesis, Fluorinated Building Blocks, Halogenated Hydrocarbons, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • Aryl,

产品应用

  • 用于制备氟化穴状配体,它可用于阴离子主客体络合物的 19F NMR 研究。

相关文献及参考

  • 1. Z. Naturforsch. B 50 , 1075, (1995)
  • Beil. 5 ,IV,942
  • 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: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Comm

安全信息

WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
GHS Symbol
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word Warning
UN Number 1993
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。
  • 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
  • P370+P378
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Risk Statements
  • R10 Flammable 易燃
Packing GroupIII
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Hazard Codes 3
Hazard Class3
Storage condition -20°C {LY} -20°C {} {LY} -20°C {} {} {LY} -20°C {} {} {} {LY} -20°C {} {} {} {} {LY} -20°C {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Acros Organics:2-fluoro-1,3-dimethylbenzene(443-88-9)
  • Alfa Aesar:2-氟间二甲苯,98% 2-Fluoro-m-xylene, 98%(443-88-9)
  • Sigma Aldrich:443-88-9(sigmaaldrich)
  • 2,6-二甲基氟苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 F0402 2-氟间二甲苯 2-Fluoro-m-xylene 5G 701元 2014/06/02 F0402 2-氟间二甲苯 2-Fluoro-m-xylene 25G 2320元 2010/06/21 CD05584EB 2,6-二甲基氟苯 2-fluoro-1,3-dimethylbenzene 25 GR 2580元
  • 图谱信息:2,6-二甲基氟苯(443-88-9)核磁图( 13 CNMR) 2,6-二甲基氟苯(443-88-9)核磁图( 1 HNMR) 2,6-二甲基氟苯(443-88-9)质谱(MS)
  • MSDS 信息:2-Fluoro-m-xylene(443-88-9).msds
  • MOL 文件:443-88-9.mol
  • TCI Shanghai:2-氟间二甲苯 2-Fluoro-m-xylene,>;98.0%(GC)(443-88-9)
  • Hazard Note:Flammable

系列性分类


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