3-Fluorobenzonitrile 3-氟苯甲腈

CAS 403-54-3 MFCD00001797

化学结构图

403-54-3
SMILES: N#Cc1cccc(F)c1

化学属性

Mol. FormulaC7H4FN
Mol. Weight121.11
Boiling Point182-183
Melting Point-16
TSCAT
Density1.133
Refractive index1.5040 to 1.5070
Flash Point68°C(lit.)
Appearance 无色至浅黄色液体。沸点:182℃-183℃/753mmHg,熔点:-16℃,闪点:67℃,折光率:1.5043,比重:1.133。
pH:A

别名和识别编码

Chemical Name3-Fluorobenzonitrile
CAS Number403-54-3
Alfabeta NameFLUOROBENZONITRILE 3-
MDL NumberMFCD00001797
Synonym 3-氟苯甲腈,98% m-Cyanofluorobenzene m-Cyanofluorobenzene 3-Fluorobenzonitrile,98% M-FLUOROBENZONITRILE 3-氟苯甲腈 3-氟苄腈 Benzonitrile, 3-fluoro- Benzonitrile, m-fluoro- 3-FLUOROBENZONITRILE 1-Cyano-3-fluorobenzene Benzonitrile, m-fluoro- m-Fluorobenzonitrile 3-Fluorobenzonitrile 3-fluoro-benzonitrile 3-Fluorbenzonitril M-FLUOROBENZONITILE 3-fluorobenzonitrile 3-氟苯腈; 间氟苯腈 3-Fluorbenzoesäurenitril 3-fluoro-benzonitril 1-Fluoro-3-cyanobenzene m-Fluorobenzonitrile 3-氟苯腈 间氟苯甲腈 间氟苯腈 3-cyanofluorobenzene
EC Number206-963-5
Beilstein Registry Number1858941
PubChem Substance ID67880
Reaxys-RN1858941
Chemical Name Translation3-氟苯甲腈
InChIKeyJZTPKAROPNTQQV-UHFFFAOYSA-N
LabNetwork Molecule IDLN00008736
InChIInChI=1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H
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分类

  • {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

  • 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: II/19c Title: Molecular Constants: Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Constants of Diamagnetic Molecules Author: Demaison, J.; Hüttner, W.; Tiemann, E.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19c Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54893-9 ISBN: 978-3-540-54893-5 Internet Resource: DOI:10.1007/b44435 RefComment: 8 figs., XI, 295 pages. Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplem

安全信息

Warnings IRRITANT, IRRITANT-HARMFUL
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置;
  • 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;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
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
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Precautionary statements
  • 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。
  • 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。
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • 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。
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P403+P233
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P302+P350
  • P337+P313
  • P304+P340+P311
Packing GroupIII
UN Number UN 3276 6.1/PG 3 UN3276
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn,T,Xi Xn
Hazard Class6.1

其他信息

  • 用途一:医药、农药、液晶材料中间体
  • MSDS 信息:3-Fluorobenzonitrile(403-54-3).msds
  • Alfa Aesar:3-氟苯甲腈,98% 3-Fluorobenzonitrile, 98%(403-54-3)
  • TCI Shanghai:3-氟苯甲腈 3-Fluorobenzonitrile,>;98.0%(GC)(403-54-3)
  • 3-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 F0219 3-氟苯甲腈 3-Fluorobenzonitrile 5G 569元 2014/06/02 F0219 3-氟苯甲腈 3-Fluorobenzonitrile 25G 1830元 2010/06/21 216580100 3-氟苯腈 3-Fluorobenzonitrile 98% 10 GR 1019元
  • TSCA:T
  • 图谱信息:3-氟苯腈(403-54-3)核磁图( 1 HNMR) 3-氟苯腈(403-54-3)红外图谱(IR1) 3-氟苯腈(403-54-3)核磁图( 13 CNMR) 3-氟苯腈(403-54-3)质谱(MS)
  • Hazard Note:Toxic
  • Sigma Aldrich:403-54-3(sigmaaldrich)
  • 下游产品:1-(3-氰基苄基)哌嗪
  • MOL 文件:403-54-3.mol
  • 检测方法:GC,NMR
  • Acros Organics:3-氟苄腈 3-Fluorobenzonitrile, 98%(403-54-3)

系列性分类


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