Benzonitrile, 2,​6-​difluoro- 2,6-二氟苯腈

CAS 1897-52-5 MFCD00001778

化学结构图

1897-52-5
SMILES: N#Cc1c(F)cccc1F

化学属性

Mol. FormulaC7H3F2N
Mol. Weight139.11
Refractive indexn20/D 1.4875(lit.)
Boiling Point174°C at 760 mmHg
Density1.246
Melting Point25-28°C
Flash Point90°C
TSCAYes
Appearance 本品为无色固体或油状液体,m.p.30~32℃,n 1.4875,相对密度 1.246,不溶于水,溶于苯、甲苯等溶剂。 D 20

别名和识别编码

Chemical NameBenzonitrile, 2,​6-​difluoro-
CAS Number1897-52-5
Alfabeta NameDIFLUOROBENZONITRILE 26-,
MDL NumberMFCD00001778
PubChem Substance ID87568127
EC Number217-589-7
Beilstein Registry Number2045292
Reaxys-RN2045292
Synonym 2,6-Difluorobenzonitrile {LY} 2,6-Difluorobenzonitrile {} {LY} 2,6-Difluorobenzonitrile {} {} {LY} 2,6-Difluorobenzonitrile {} {} {} {LY} 2,6-Difluorobenzonitrile {} {} {} {} {LY} 2,6-Difluorobenzonitrile {} {} {} {} {} {LY} 2,6-Difluorobenzonitrile {} {} {} {} {} {} {LY} 2,6-Difluorobenzonitrile {} {} {} {} {} {} {} {LY} 2,6-Difluorobenzonitrile {} {} {} {} {} {} {} {} {LY} 2,6-Difluorobenzonitrile {} {} {} {} {} {} {} {} {} {LY} 2,6-Difluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Difluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Difluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Difluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Difluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Difluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Difluoroben
Chemical Name Translation2,6-二氟苯腈
LabNetwork Molecule IDLN00008279
Canonical SMILESN#CC1=C(F)C=CC=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
  • {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
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 苯甲酰脲类杀虫剂

产品应用

  • 2,6-Difluorobenzonitrile is a halogenated benzonitrile with fungacidal activity. 2,6-Difluorobenzonitrile is the difluoro analogue of the herbicide Dichlobenil.

相关文献及参考

  • Turner, N.J.: Curr. Top. Plant Sci., 50 (1969); Vosahlova, J. et al.: Pest Sci., 49, 303 (1997);
  • Corp MSDS 1 (1), 1239:B / FT-IR 1 (2), 453:C / FT-IR 2 (2), 3150:C / FT-NMR 1 (2), 1525:C / IR-Spectra (3), 1134:A / NMR-Reference 2 (2), 428:A / RegBook 1 (2), 2131:M / Sigma FT-IR 1 (2), 469:B / Structure Index 1 , 336:E:6 / Vapor Phase 3 , 1415:B
  • Short: II/2 Title: Magnetic Properties of Coordination and Organometallic Transition Metal Compounds Author: König, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/2 Year: 1966 ISBN: 3-540-03593-1 ISBN: 978-3-540-03593-0 Internet Resource: DOI:10.1007/b19948 RefComment: 170 figs., XII, 578 pages. Hardcover Abstract: The data compiled refer to susceptibility measurements (susceptibility, Curie-constants, magnetic moments, transition temperatures) and ESR-measurements (g-factors and other parameters of the applied spin Hamiltonian). In volume II/2 the literature from 1899 up to 1964 has been considered. Volume II/8 supplements volume II/2, taking into account the data on magnetic susceptibilities and ESR parameters published in the p eriod 1964 to 1968. The following subvolumes II/10,II/11, II/12 supplement data up to 1974.
  • 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

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard statements
  • H301+H311+H331
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H302+H312+H332
  • H332 Harmful if inhaled 吸入有害
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn,T,Xi Xn
Precautionary statements
  • 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。
  • 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。
  • 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+P310+P330
  • P302+P350
  • P302+P352+P312+P361+P364
  • P304+P340+P311
  • 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。
  • P332+P313
  • P337+P313
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • 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 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
Risk Statements
  • 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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number 3439 1325 UN3439
Packing GroupIII
Hazard Class6.1
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

  • 下游产品:氟啶脲 --> 2,6-二氟苯甲酰胺 --> 氟脲杀
  • 2,6-二氟苯腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1650 2,6-二氟苯甲腈 2,6-Difluorobenzonitrile 25G 477元 2010/05/25 A10454 2,6-二氟苯甲腈, 98% 2,6-Difluorobenzonitrile, 98% 50g 1009元 2010/05/25 A10454 2,6-二氟苯甲腈, 98% 2,6-Difluorobenzonitrile, 98% 250g 4032元
  • 图谱信息:2,6-二氟苯腈(1897-52-5)红外图谱(IR2) 2,6-二氟苯腈(1897-52-5)红外图谱(IR1) 2,6-二氟苯腈(1897-52-5)核磁图( 1 HNMR) 2,6-二氟苯腈(1897-52-5)核磁图( 13 CNMR) 2,6-二氟苯腈(1897-52-5)质谱(MS)
  • Acros Organics:2,6-二氟苯甲腈 2,6-Difluorobenzonitrile, 97%(1897-52-5)
  • Hazard Note:Toxic
  • 方法二:2,6-二氯苯腈与无水氟化钾在非质子性极性溶剂中进行高温氟化反应可制得2,6-二氟苯腈。生产1t2,6-二氟苯腈约需消耗1.2t2,6-二氯苯腈。
  • TSCA:T
  • Sigma Aldrich:1897-52-5(sigmaaldrich)
  • Alfa Aesar:2,6-二氟苯甲腈,98% 2,6-Difluorobenzonitrile, 98%(1897-52-5)
  • 海关编码:29269095
  • 用途一:是新型农药中间体,主要用于生产高效、低毒、广谱的含苯甲酰胺的农药,在工程塑料、染料等方面也有应用
  • 用途三:2,6-二氟苯腈为新型农药中间体,主要用于生产高效、低毒、广谱的含氟苯甲酰脲类杀虫剂、除草剂中间体2,6-二氟苯甲酰胺。在医药方面也有所应用。
  • MSDS 信息:2,6-Difluorobenzonitrile(1897-52-5).msds
  • 用途二:2,6-二氟苯腈是苯甲酰脲类杀虫剂合成过程中的一个重要中间体,用于合成下一个中间体 2,6-二氟苯甲酰胺,最终得到氟铃脲、除虫脲、氟啶脲、虱螨脲等农药品种。
  • TCI Shanghai:2,6-二氟苯甲腈 2,6-Difluorobenzonitrile,>;99.0%(GC)(1897-52-5)
  • MOL 文件:1897-52-5.mol
  • 上游原料:氟化钾 --> gamma-丁内酯 --> 环丁砜 --> 2,6-二氯苄腈 --> 2-氯-6-硝基苯腈
  • 方法一:制备方法为 2,6-二氯苯腈氟化,即得到 2,6-二氟苯腈。 可供选择的溶剂有 N-甲基吡咯烷酮、γ-丁内酯、环丁砜、二甲亚砜、N,N-二甲基甲酰胺等,催化剂为季铵盐类相转移催化剂。 制备实例:将 86g (0.5mol) 2,6-二氯苯甲腈、87g (1.5mol) 无水氟化钾、90mL 二甲基甲酰胺和 2.6g PEG-600 加入干燥的反应瓶中,于 150~160℃搅拌 10h。冷至室温,加入等体积水,分出有机层,水层用 150mL 乙醚分3次提取,合并有机层,水洗,无水硫酸钠干燥,回收溶剂,减压蒸馏,得到 2,6-二氟苯腈。 此外,也可由 2-氯-6-硝基苯腈氟化,得到 2,6-二氟苯腈。

系列性分类


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