3-Fluorobenzotrifluoride 间氟三氟甲苯

CAS 401-80-9 MFCD00000382

化学结构图

401-80-9
SMILES: Fc1cccc(C(F)(F)F)c1

化学属性

Mol. FormulaC7H4F4
Mol. Weight164.10
Boiling Point103.4°C at 760 mmHg
Density1.302
Refractive index1.3990 to 1.4010
Flash Point7°C
TSCANo
Appearance 无色液体
Danger-Level甲类
Melting Point-81.5 °C

别名和识别编码

Chemical Name3-Fluorobenzotrifluoride
CAS Number401-80-9
Alfabeta NameFLUOROBENZOTRIFLUORIDE 3-
MDL NumberMFCD00000382
Synonym 3-Fluorobenzotrifluoride {LY} 3-Fluorobenzotrifluoride {} {LY} 3-Fluorobenzotrifluoride {} {} {LY} 3-Fluorobenzotrifluoride {} {} {} {LY} 3-Fluorobenzotrifluoride {} {} {} {} {LY} 3-Fluorobenzotrifluoride {} {} {} {} {} {LY} 3-Fluorobenzotrifluoride {} {} {} {} {} {} {LY} 3-Fluorobenzotrifluoride {} {} {} {} {} {} {} {LY} 3-Fluorobenzotrifluoride {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzotrifluoride {} {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzotrifluoride {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzotrifluoride {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzotrifluoride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzotrifluoride {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzotrifluoride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Fluorobenzotrifluoride {} {} {} {} {} {} {} {} {} {}
EC Number206-933-1
Beilstein Registry Number2045664
PubChem Substance ID67867
Chemical Name Translation间氟三氟甲苯
Reaxys-RN2045664
InChIKeyGBOWGKOVMBDPJF-UHFFFAOYSA-N
LabNetwork Molecule IDLN00117395
InChIInChI=1S/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
Canonical SMILESFC(F)(F)C1=CC=CC(F)=C1
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分类

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

产品应用

  • 3-Fluorobenzotrifluoride is a fluorniated toluene used in photochemical reactions with aliphatic amines as well as in photocycloaddition reactions.

相关文献及参考

  • Gilbert, A. et al.: J. Chem. Soc. Perk. Trans. Org. Bio-Org. Chem., 1, 295 (1981); Osselton, E.M. et al.: Rec. Trav. Chim. Pays-Bas, 105, 375 (1986);
  • 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: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, C

安全信息

Warnings IRRITANT, FLAMMABLE
Packing GroupII
UN Number UN 1993 3/PG 2
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
  • R11 Highly flammable 非常易燃
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
GHS Symbol
WGK Germany3
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • 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
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
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。
  • 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。
  • 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。
  • 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。
  • P302+P352
  • P303+P361+P353
  • P304+P340
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P337+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
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Hazard Codes F;Xi
Hazard Class3
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature

其他信息

  • TCI Shanghai:3-氟三氟甲苯 3-Fluorobenzotrifluoride,>;96.0%(GC)(401-80-9)
  • 3-氟三氟甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 F0390 3-氟三氟甲苯 3-Fluorobenzotrifluoride 25G 478元 2014/06/02 F0390 3-氟三氟甲苯 3-Fluorobenzotrifluoride 250G 2420元 2010/05/25 A15055 3-氟三氟甲苯, 99% 3-Fluorobenzotrifluoride, 99% 25g 483元
  • Alfa Aesar:3-氟三氟甲苯,99% 3-Fluorobenzotrifluoride, 99%(401-80-9)
  • 图谱信息:3-氟三氟甲苯(401-80-9)红外图谱(IR1) 3-氟三氟甲苯(401-80-9)质谱(MS) 3-氟三氟甲苯(401-80-9)核磁图( 13 CNMR) 3-氟三氟甲苯(401-80-9)核磁图( 1 HNMR)
  • MOL 文件:401-80-9.mol
  • MSDS 信息:1-Fluoro-3-(trifluoro-methyl)benzene(401-80-9).msds
  • Sigma Aldrich:401-80-9(sigmaaldrich)
  • 用途一:用作染料、农药、医药中间体
  • 3-氟三氟甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 F0390 3-氟三氟甲苯 3-Fluorobenzotrifluoride 25G 505元 2011/04/16 F0390 3-氟三氟甲苯 3-Fluorobenzotrifluoride 250G 2550元 2010/05/25 A15055 3-氟三氟甲苯, 99% 3-Fluorobenzotrifluoride, 99% 25g 483元
  • 上游原料:亚硝酸钠 --> 3-甲基苯胺
  • Hazard Note:Flammable/Irritant

系列性分类


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