2,3,4,5,6-Pentafluoroanisole 2,3,4,5,6-五氟苯甲醚

CAS 389-40-2 MFCD00000289

化学结构图

389-40-2
SMILES: COc1c(F)c(F)c(F)c(F)c1F

化学属性

Mol. FormulaC7H3F5O
Mol. Weight198.090136
Boiling Point138-139 °C at 760 mmHg
Refractive index1.4080 to 1.4100
Density1.50
Flash Point32°C(lit.)
TSCAYes
Melting Point-38--37 °C

别名和识别编码

Chemical Name2,3,4,5,6-Pentafluoroanisole
CAS Number389-40-2
Alfabeta NamePENTAFLUOROANISOLE 23456-,,,,
MDL NumberMFCD00000289
Synonym 2,3,4,5,6-Pentafluoroanisole {LY} 2,3,4,5,6-Pentafluoroanisole {} {LY} 2,3,4,5,6-Pentafluoroanisole {} {} {LY} 2,3,4,5,6-Pentafluoroanisole {} {} {} {LY} 2,3,4,5,6-Pentafluoroanisole {} {} {} {} {LY} 2,3,4,5,6-Pentafluoroanisole {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluoroanisole {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluoroanisole {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluoroanisole {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluoroanisole {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluoroanisole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluoroanisole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluoroanisole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluoroanisole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluoroanisole {} {} {} {} {} {} {} {}
PubChem Substance ID67849
EC Number206-866-8
Beilstein Registry Number2052664
Reaxys-RN2052664
Chemical Name Translation2,3,4,5,6-五氟苯甲醚
InChIKeyZRQUIRABLIQJRI-UHFFFAOYSA-N
LabNetwork Molecule IDLN00117429
InChIInChI=1S/C7H3F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
Canonical SMILESCOC1=C(F)C(F)=C(F)C(F)=C1F
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ether; 1fragment

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: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings FLAMMABLE
WGK Germany3
Signal word Warning
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
Packing GroupIII
UN Number 1993 UN 1993 3/PG 3 UN1993
Risk Statements
  • R10 Flammable 易燃
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 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • 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
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Codes F
Hazard Class3
Storage condition Flammables area
Safety Statements
  • S29 Do not empty into drains 不要排入下水道；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；

其他信息

  • Alfa Aesar:五氟苯甲醚,98+% 2,3,4,5,6-Pentafluoroanisole, 98%(389-40-2)
  • Hazard Note:Flammable
  • 图谱信息:2,3,4,5,6-五氟回香醚(389-40-2)质谱(MS) 2,3,4,5,6-五氟回香醚(389-40-2)红外图谱(IR1)
  • 2,3,4,5,6-五氟回香醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0918 五氟苯甲醚 Pentafluoroanisole 5G 325元 2014/06/02 P0918 五氟苯甲醚 Pentafluoroanisole 25G 1020元 2010/06/21 188330050 2,3,4,5,6-五氟回香醚 2,3,4,5,6-Pentafluoroanisole 97% 5 GR 390元
  • TCI Shanghai:五氟苯甲醚 Pentafluoroanisole,>;98.0%(GC)(389-40-2)
  • Sigma Aldrich:389-40-2(sigmaaldrich)
  • Acros Organics:2,3,4,5,6-Pentafluoroanisole, 97%(389-40-2)
  • MOL 文件:389-40-2.mol

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. Oxygen Compounds 氧化合物
  5. Ethers - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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