CAS: 96606-37-0; 2,4,6-Trifluorobenzonitrile

• 英文名称2,4,6-Trifluorobenzonitrile
• 中文名称2,4,6-三氟苯腈
• IUPAC名称2,4,6-trifluorobenzonitrile
• 其它别名2,4,6-三氟苯甲腈
• CAS编号96606-37-0
• MFCD编号:MFCD00042399
• EINECS号:642-872-0
• FDA UNII编号:58RUE8AE4C
• 分子式:C7H2F3N
• 分子量:157.1
• 产品CID: 2018144
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• 产品信息参考;;
• InChIKey: HTKFGTCCOJIUIK-UHFFFAOYSA-N
• InChI=1S/C7H2F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H…
• 计算化学: 氢键受体数1.0氢键供体数0可旋转键数0

物理性质

• 熔点57-61 °C
• 沸点166.5 °C at 760 mmHg
• 闪点92°C
• 密度1.2465 (估算)
• PSA:23.79
• LogP:1.97558
• 折射率1.413
• 蒸汽压0.0733 mmHg at 25 °C
• 溶解性Soluble In Methanol
• 外观形态白色固体
• 储存条件2-8°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS06;
  注释: Skull and crossbones
• 危险类别急性毒性 类别3(吸入)
  急性毒性 类别3(经皮)
  急性毒性 类别3(经口)
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  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
• 警示词Danger(危险)
• 危险描述H331 |吸入会中毒.
  H311 |皮肤接触会中毒.
  H301 |吞咽会中毒.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  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.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级6.1
• UN编号3276
• 危险品标志Xn,T,Xi
• 风险等级Toxic
• 包装等级III
• 安全声明36/37/39-26-36-36/37-9
• 危险类别码36/37/38-20/21/22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 31881-89-7 = 96606-37-0
  反应条件:1.1 Reagents: Zinc Solvents: Water; Rt -> 75 °C1.2 Reagents: Formic Acid; 75 °C
  标题:Process For Preparation Of Halogenated Benzylamines By Selective Dehalogenation Of Halogenated Benzonitriles And Hydrogenation
  参考文献:India]
  
  31881-89-7 = 96606-37-0
  反应条件:1.1 Reagents: Acetic Acid,Zinc,Hydrochloric Acid Solvents: Water; Rt -> 90 °C; 2 H,90 °C; 4 H,95 - 105 °C; 105 °C -> Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Ph 7,Rt
  标题:Method For Preparing Compound 2,4,6-Trifluorobenzylamine From Pentachlorobenzonitrile By Fluorination,Dechlorination And Catalytic Hydrogenation
  参考文献:China]
  
  31881-89-7 = 96606-37-0
  反应条件:1.1 Reagents: Hydrogen,Diisopropylethylamine Catalysts: Palladium Solvents: Ethyl Acetate; 12 H,0.5 Mpa,90 °C
  标题:Preparation Method Of 2,4,6-Trifluorobenzylamine
  参考文献:China]
  
  6575-05-9 = 96606-37-0 [标题:Reaction Conditions
  标题:2,4,6-Trifluorobenzonitrile
  参考文献:Japan]
  
  31881-89-7 = 96606-37-0
  反应条件:1.1 Reagents: Tetraphenylphosphonium Bromide,Zinc Solvents: Toluene,Water; Rt -> 80 °C1.2 Reagents: Acetic Acid; 2 - 3 H,90 - 95 °C
  标题:Process For Preparation Of Halogen Substituted Benzoic Acids
  参考文献:India]
  
  31881-89-7 = 96606-37-0
  反应条件:1.1 Reagents: Acetic Acid,Zinc,Dipotassium Phosphate Solvents: Water; 2 - 3 H,80 °C; 2 - 3 Kg/cm2,90 - 95 °C
  标题:Process For Preparation Of 2,4,6-Trifluorobenzoic Acid
  参考文献:World Intellectual Property Organization]
  
  31881-89-7 = 96606-37-0
  反应条件:1.1 Reagents: Zinc,Sulfuric Acid Solvents: Benzonitrile,Water
  标题:Preparation Of Aromatic Halo Nitriles.
  参考文献:Japan]
  
  31881-89-7 = 96606-37-0 [标题:Reaction Conditions
  标题:2,4,6-Trifluorobenzonitrile
  参考文献:Japan]
  
  99835-26-4 = 96606-37-0
  反应条件:1.1 Reagents: Potassium Fluoride
  标题:2,4,6-Trifluorobenzonitrile
  参考文献:Japan]
  
  = 96606-37-0
  反应条件:1.1 Solvents: 1,4-Dioxane; 3 H,100 °C
  标题:Mechanistic Insights Into C(Sp2)-C(Sp)N Reductive Elimination From Gold(Iii) Cyanide Complexes
  作者:Genoux,Alexandre; Gonzalez,Jorge A.; Merino,Estibaliz; Nevado,Cristina
  参考文献:Angewandte Chemie 日期:2020 卷标:59(41) 页码:17881-17886

海关参考信息

• 2902300000-甲苯
  2926909090-其他腈基化合物
• 💡 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

专利信息

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管