2,3,4,5,6-Pentafluorobenzonitrile 2,3,4,5,6-五氟苯甲腈
CAS 773-82-0 MFCD00001775
化学结构图
SMILES: N#Cc1c(F)c(F)c(F)c(F)c1F
化学属性
| Mol. Formula | C7F5N |
|---|---|
| Mol. Weight | 193.08 |
| Boiling Point | 162°C at 760 mmHg |
| Melting Point | 2.4°C |
| TSCA | T |
| Refractive index | 1.4410 to 1.4430 |
| Density | 1.566 |
| Flash Point | 51.8°C |
| Appearance | 无色至浅黄色液体。沸点185℃-190℃，闪点>9℃，折光率1.4425，比重1.532。 |
| pH | :A |
别名和识别编码
| Chemical Name | 2,3,4,5,6-Pentafluorobenzonitrile |
|---|---|
| CAS Number | 773-82-0 |
| Alfabeta Name | PENTAFLUOROBENZONITRILE |
| MDL Number | MFCD00001775 |
| PubChem Substance ID | 69882 |
| EC Number | 212-259-9 |
| Beilstein Registry Number | 1913453 |
| Reaxys-RN | 1913453 |
| Synonym | 2,3,4,5,6-Pentafluorobenzonitrile {LY} 2,3,4,5,6-Pentafluorobenzonitrile {} {LY} 2,3,4,5,6-Pentafluorobenzonitrile {} {} {LY} 2,3,4,5,6-Pentafluorobenzonitrile {} {} {} {LY} 2,3,4,5,6-Pentafluorobenzonitrile {} {} {} {} {LY} 2,3,4,5,6-Pentafluorobenzonitrile {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorobenzonitrile {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorobenzonitrile {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorobenzonitrile {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentafluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,4,5,6-Pentaf |
| Chemical Name Translation | 2,3,4,5,6-五氟苯甲腈 |
| InChIKey | YXWJGZQOGXGSSC-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00115375 |
| InChI | InChI=1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10 |
| Canonical SMILES | N#CC1=C(F)C(F)=C(F)C(F)=C1F |
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分类
- Aryl Fluorinated Building Blocks, Building Blocks, C6 to C7, C7, Chemical Synthesis, Cyanides/Nitriles, Fluorinated Building Blocks, Nitrogen Compounds, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
- {SNA} Aryl Fluorinated Building Blocks, Building Blocks, C6 to C7, C7, Chemical Synthesis, Cyanides/Nitriles, Fluorinated Building Blocks, Nitrogen Compounds, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
相关文献及参考
- Beil. 9 ,IV,956
- Aldrich MSDS 1 , 1429:B / Corp MSDS 1 (2), 2704:B / FT-IR 2 (2), 3168:A / FT-IR 1 (2), 462:A / FT-NMR 1 (2), 1542:B / IR-Spectra (3), 1139:A / RegBook 1 (2), 2143:B / Structure Index 1 , 338:C:3 / Vapor Phase 3 , 1421:A
- Short: II/24B Title: Molecular Constants mostly from Microwave, Molecular Beam, and Sub-Doppler Laser Spectroscopy: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/24B Year: 2000 Keyword: Diamagnetics Diatomics; Linear Symmetric Rotors; Molecular Constants; Molecules ISBN: 3-540-65345-7 ISBN: 978-3-540-65345-5 Internet Resource: DOI:10.1007/b58835 RefComment: VIII, 525 pages. Hardcover Abstract: Volume II/24 presents the spectroscopic data on diamagnetic and paramagnetic molecules as well as on molecular ions and radicals up to date considering the publications up to and partly including 1997. The spectroscopic information collected in this volume has been obtained principally from gas phase microwave measurements. Volume II/24 is a supplement to volumes II/4, II/6, II/14, and II/19 and is planned to appear in five subvolumes, the last of which will contain the substance index taking into account all molecules worked at since 1967 in the volumes mentioned and will provide cross references to and between all tables of these. The present subvolume II/24B contains an introduction and tables of rotational and centrifugal distortion constants of asymmetric-top molecules, i.e. data which roughly specifies the frequencies of the rotational transitions of these types of rotors.
- Short: II/24C Title: Molecular Constants mostly from Microwave, Molecular Beam, and Sub-Doppler Laser Spectroscopy: Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Interaction Const
安全信息
GHS Symbol
- H226 Flammable liquid and vapour 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
- 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。
- P264+P265
- 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+P330
- P302+P352
- P302+P352+P312+P362+P364
- P303+P361+P353
- P304+P340
- P305+P351+P338
- P319
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P332+P313
- P332+P317
- P337+P313
- P337+P317
- 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
- P362+P364
- 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.....
- R10 Flammable 易燃
其他信息
- 用途一:医药、农药、液晶材料中间体
- MOL 文件:773-82-0.mol
- Hazard Note:Irritant/Flammable
- MSDS 信息:2,3,4,5,6-Pentafluorobenzonitrile(773-82-0).msds
- TSCA:T
- Alfa Aesar:五氟苯腈,98+% Pentafluorobenzonitrile, 98%(773-82-0)
- Sigma Aldrich:773-82-0(sigmaaldrich)
- 海关编码:29269095
- 图谱信息:五氟苯腈(773-82-0)红外图谱(IR1) 五氟苯腈(773-82-0)质谱(MS) 五氟苯腈(773-82-0)Raman光谱
- TCI Shanghai:五氟苯甲腈 Pentafluorobenzonitrile,>;98.0%(GC)(773-82-0)
- 五氟苯腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0935 五氟苯甲腈 Pentafluorobenzonitrile 25G 727元 2010/05/25 A13575 五氟苯腈, 98+% Pentafluorobenzonitrile, 98% 5g 241元 2010/05/25 A13575 五氟苯腈, 98+% Pentafluorobenzonitrile, 98% 25g 781元
