4-fluorobenzonitrile 对氟苯腈

CAS 1194-02-1 MFCD00001812

化学结构图

1194-02-1
SMILES: N#Cc1ccc(F)cc1

化学属性

Mol. FormulaC7H4FN
Mol. Weight121.11
Boiling Point188°C at 760 mmHg
Melting Point32-34°C
TSCAT
Density1.422
Flash Point65°C
Appearance 熔点35-37℃，白色结晶体。

别名和识别编码

Chemical Name4-fluorobenzonitrile
CAS Number1194-02-1
Alfabeta NameFLUOROBENZONITRILE 4-
MDL NumberMFCD00001812
Synonym 4-Fluorobenzonitrile {LY} 4-Fluorobenzonitrile {} {LY} 4-Fluorobenzonitrile {} {} {LY} 4-Fluorobenzonitrile {} {} {} {LY} 4-Fluorobenzonitrile {} {} {} {} {LY} 4-Fluorobenzonitrile {} {} {} {} {} {LY} 4-Fluorobenzonitrile {} {} {} {} {} {} {LY} 4-Fluorobenzonitrile {} {} {} {} {} {} {} {LY} 4-Fluorobenzonitrile {} {} {} {} {} {} {} {} {LY} 4-Fluorobenzonitrile {} {} {} {} {} {} {} {} {} {LY} 4-Fluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {LY} 4-Fluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Fluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Fluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Fluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Fluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Fluorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number214-784-9
Beilstein Registry Number9(1)138
PubChem Substance ID87570001
Chemical Name Translation对氟苯腈
Reaxys-RN2041517
InChIKeyAEKVBBNGWBBYLL-UHFFFAOYSA-N
LabNetwork Molecule IDLN00238327
InChIInChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
Canonical SMILESN#CC1=CC=C(F)C=C1
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分类

  • {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

相关文献及参考

  • Short: II/19c
  • Displacement of the fluoro-substituent by phenols or thiophenols, to give the corresponding diaryl ethers or thioethers, is promoted by KF on alumina in the presence of 18-crown-6: J. Org. Chem., 58, 3229 (1993).
  • Short: II/19b

安全信息

Warnings IRRITANT, IRRITANT-HARMFUL
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
  • 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；
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
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。
  • P304+P340+P312
  • 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。
  • P305+P351+P338
  • P332+P313
  • P302+P352+P312+P362+P364
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P305+P351+P338+P337+P313
  • P301+P312+P330
  • 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
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • 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。
Hazard statements
  • H302+H312+H332
  • H228 Flammable solid 易燃固体
  • 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, Faceshields, Gloves
RTECSDI4368500
Hazard Codes Xn,T,Xi
UN Number 1325
Packing GroupII
Hazard Class4.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 21,906,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 41,41,1986

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

  • MSDS 信息:4-Fluorobenzonitrile(1194-02-1).msds
  • 对氟苯腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 F0221 4-氟苯甲腈 4-Fluorobenzonitrile 25G 580元 2014/06/02 F0221 4-氟苯甲腈 4-Fluorobenzonitrile 500G 6200元 2010/06/21 SB01283DA 对氟苯腈 4-fluorobenzonitrile 1 GR 405元
  • 图谱信息:对氟苯腈(1194-02-1)核磁图( 13 CNMR) 对氟苯腈(1194-02-1)Raman光谱 对氟苯腈(1194-02-1)质谱(MS) 对氟苯腈(1194-02-1)红外图谱(IR1) 对氟苯腈(1194-02-1)核磁图( 1 HNMR)
  • Hazard Note:Toxic
  • Sigma Aldrich:1194-02-1(sigmaaldrich)
  • 用途二:医药、农药中间体。
  • 下游产品:4-氟苄脒盐酸盐 --> 4-(哌嗪-1-基)苯甲酸 --> 4-吗啉基苄胺
  • MOL 文件:1194-02-1.mol
  • 海关编码:29269095
  • TCI Shanghai:对氟苯甲腈 4-Fluorobenzonitrile,>;99.0%(GC)(1194-02-1)
  • Alfa Aesar:4-氟苯甲腈,99% 4-Fluorobenzonitrile, 99%(1194-02-1)
  • Acros Organics:4-氟苯甲腈 4-Fluorobenzonitrile, 99%(1194-02-1)
  • TSCA:T
  • 用途一:用作农药、医药中间体

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Fluorinated Building Blocks 氟化物砌块
  4. Organic Fluorinated Building Blocks - Fluorinated Building Blocks
  5. Other Fluorinated Organic Building Blocks - Organic Fluorinated Building Blocks
  6. Aryl Fluorinated Building Blocks 芳基氟化物
  7. C7 - Aryl Fluorinated Building Blocks
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C6 to C7 - Cyanides/Nitriles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  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
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles
  6. C10 to C27
  1. Materials Science 材料科学
  2. Building Blocks for Liquid Crystals

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