CAS: 95727-86-9; 5-(Trifluoromethyl)Picolinonitrile

• 英文名称5-(Trifluoromethyl)Picolinonitrile
• 中文名称2-氰基-5-三氟甲基吡啶
• IUPAC名称5-(trifluoromethyl)picolinonitrile
• 其它别名5-(Trifluoromethyl)Picolinonitrile; 5-(Trifluoromethyl)Pyridine-2-Carbonitrile; 2-Cyano-5-(Trifluoromethyl)Pyridine; 2-Cyano-5-Trifluoromethylpyridine; 5-Trifluoromethyl-Pyridine-2-Carbonitrile; 2-Pyridinecarbonitrile, 5-(Trifluoromethyl)-; 5-(Triflu
• CAS编号95727-86-9
• MFCD编号:MFCD01001119
• EINECS号:676-285-6
• 分子式:C7H3F3N2
• 分子量:172.11
• 产品CID: 2011672
• 产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

• 相似结构搜索
• InChIKey: WDSCJULUXJSJOX-UHFFFAOYSA-N
• InChI=1S/C7H3F3N2/c8-7(9,10)5-1-2-6(3-11)12-4-5/h1-2,4H…
• 计算化学: 氢键受体数2.0氢键供体数0可旋转键数0

相似化合物

物理性质

• 熔点42-43 °C
• 沸点232.3°C at 760 mmHg
• 闪点94.3±27.3 °C
• 密度1.4±0.1 g/cm3
• pKa:-2.75±0.10(预测)
• PSA:36.68
• LogP:1.97208
• 折射率1.457
• 蒸汽压0.1±0.5 mmHg at 25°C
• 溶解性Slightly Soluble In Water.
• 外观形态固体
• 储存条件在惰性气体(氮气或氩气)下 2-8°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P280-P304+P340-P405-P501
• 危险等级6.1
• UN编号3439.0
• 危险品标志T,Xi
• 包装等级Ⅲ

欧盟法规

上下游产品

合成工艺路线路线简述

• 100366-75-4 = 95727-86-9
  反应条件:1.1 Reagents: Pyridine; 2 H,Reflux
  标题:Preparation Of 3,5-Diaryl-1,2,4-Oxadiazoles And Analogs As Activators Of Caspases And Inducers Of Apoptosis.
  参考文献:World Intellectual Property Organization]
  
  31224-82-5 = 95727-86-9
  反应条件:1.1 Reagents: Hydroxyamine Hydrochloride,2(1H)-Pyrimidinone,Tetrahydro-1,3-Dimethyl-,Hydrochloride (1:1) Solvents: Acetonitrile; 3 - 4 H,60 °C
  标题:HCL.Dmpu-Assisted One-Pot And Metal-Free Conversion Of Aldehydes To Nitriles
  作者:Mudshinge,Sagar R.; Potnis,Chinmay S.; Xu,Bo; Hammond,Gerald B.
  参考文献:Green Chemistry 日期:2020 卷标:22(13) 页码:4161-4164]
  
  52334-81-3 = 95727-86-9
  反应条件:1.1 Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Dimethylformamide; Overnight,80 °C
  标题:Preparation Of (Tetrahydropyranylamino)Cyclopentanecarbonyl-Substituted Fused Azaheterocycles As Modulators Of Cytokine Receptors Such As Ccr2
  参考文献:World Intellectual Property Organization]
  
  = 95727-86-9 [标题:Reaction Conditions
  标题:Preparation Of Benzanilide Compounds As Pesticides
  参考文献:Japan]
  
  = 95727-86-9 [标题:Reaction Conditions
  标题:Preparation Of Benzanilide Derivatives As Pesticides
  参考文献:World Intellectual Property Organization]
  
  3796-23-4 + 7677-24-9 = 95727-86-9 + 1214383-56-8
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Anhydride Solvents: Chloroform; Rt; 1 H,Rt1.2 3 H,60 °C; < 60 °C1.3 Reagents: 4-Methylmorpholine; 17 H,60 °C; 60 °C -> Rt1.4 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:C-H Cyanation Of 6-Ring N-Containing Heteroaromatics
  作者:Elbert,Bryony L.; Farley,Alistair J. M.; Gorman,Timothy W.; Johnson,Tarn C.; Genicot,Christophe; Et Al
  参考文献:Chemistry - A European Journal 日期:2017 卷标:23(59) 页码:14733-14737]
  
  33252-63-0 = 95727-86-9
  反应条件:1.1 Reagents: Triethylamine,Trifluoromethanesulfonic Anhydride Solvents: Dichloromethane; Rt; 2 H,Rt1.2 Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Dimethylformamide; Overnight,80 °C
  标题:Heteroaromatic Ureas As Vanilloid Receptor (Vr1) Modulators,In Particular Antagonists,For Treating Pain And/or Inflammation
  参考文献:World Intellectual Property Organization]
  
  52334-81-3 = 95727-86-9
  反应条件:1.1 Reagents: Polyethylene Glycol Lauryl Ether,Poly(Methylhydrosiloxane) Catalysts: [2′-(Amino-Kn)[1,1′-Biphenyl]-2-Yl-Kc][[5-(Diphenylphosphino)-9,9-Dimethyl-9H-Xa... Solvents: Tetrahydrofuran,Water; 12 H,65 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Late-Stage Pd-Catalyzed Cyanations Of Aryl/heteroaryl Halides In Aqueous Micellar Media
  作者:Thakore,Ruchita R.; Takale,Balaram S.; Singhania,Vani; Gallou,Fabrice; Lipshutz,Bruce H.
  参考文献:Chemcatchem 日期:2021 卷标:13(1) 页码:212-216]
  
  50488-42-1 = 95727-86-9
  反应条件:1.1 Solvents: Dimethyl Sulfoxide; 2 H,180 °C; Cooled
  标题:Preparation Of Used Azabicyclic Compounds That Inhibit Vanilloid Receptor Subtype 1 (Vr1) Receptor
  参考文献:United States]
  
  50488-42-1 = 95727-86-9
  反应条件:1.1 Solvents: Dimethyl Sulfoxide; 2 H,180 °C; Cooled
  标题:Preparation Of Fused Azabicyclic Compounds That Inhibit Vanilloid Receptor Subtype 1 (Vr1)
  参考文献:United States]
  
  = 95727-86-9 [标题:Reaction Conditions
  标题:Preparation Of Heterocyclic Compounds For Treating Hepatitis C Virus
  参考文献:World Intellectual Property Organization]
  
  = 95727-86-9 [标题:Reaction Conditions
  标题:Preparation Of Phenyl Carbamates And Their Use As Agrochemical Fungicides And Insecticides
  参考文献:Japan]
  
  = 95727-86-9 [标题:Reaction Conditions
  标题:Preparation Of Heterocyclyliminophenyl Compounds As Agricultural And Horticultural Fungicides And Insecticides
  参考文献:World Intellectual Property Organization

海关参考信息

• 2933310010-吡啶
  2903399090-其他无环烃卤化衍生物
  2926909090-其他腈基化合物
  2939800000-其他生物碱
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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