CAS: 85312-59-0; 3,4-Difluoro-4'-(Trans-4-Propylcyclohexyl)-1,1'-Biphenyl

• 英文名称3,4-Difluoro-4'-(Trans-4-Propylcyclohexyl)-1,1'-Biphenyl
• 中文名称4-(4-丙基环己基)-3',4'-二氟-1,1'-联苯
• IUPAC名称3,4-difluoro-4'-((1s,4r)-4-propylcyclohexyl)-1,1'-biphenyl
• 其它别名3,4-二氟-4'-(反式-4-丙基环己基)联苯; 4'-(Trans-4-Propylcyclohexyl)-3,4-Difluorobiphenyl
• CAS编号85312-59-0
• MFCD编号:MFCD09838999
• EINECS号:617-701-8
• 分子式:C21H24F2
• 分子量:314.42
• 产品CID: 1848820
• 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: VULXHDGYVHCLLN-UHFFFAOYSA-N
• InChI=1S/C21H24F2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h8-16H,2-7H2,1H3/t15-,16-…
• 计算化学: 氢键受体数0.0氢键供体数0.0可旋转键数4.0

物理性质

• 熔点66-68°C
• 沸点404°C at 760 mmHg
• 闪点167.6 °C
• 密度1.053 g/cm3
• PSA:0.0
• LogP:6.7057
• 溶解性Sparingly Soluble In Water.
• 外观形态白色至几乎白色粉末至晶体
• 储存条件密封, 常温干燥保存

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  水生慢性毒性 类别4
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H413 |可能对水生生物造成长期有害影响.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志Xn

欧盟法规

上下游产品

合成工艺路线路线简述

• 168267-41-2 + 167858-55-1 = 85312-59-0
  反应条件:1.1 Reagents: Potassium Fluoride Catalysts: Palladium(2+),Bis[2-(Diphenylphosphino-Kp)Ethanamine-Kn]-,Chloride (1:2),(Sp-... Solvents: Tetrahydrofuran,Water; 5 H,25 - 27 °C
  标题:The Air-Stable And Highly Efficient P,N-Chelated Palladium(Ii) Complexes As Catalysts For The Suzuki Cross-Coupling Reaction At Room Temperature
  作者:Guo,Mengping; Et Al
  参考文献:Tetrahedron Letters 日期:2006 卷标:47(12) 页码:2033-2036]
  
  348-61-8 = 85312-59-0
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Triphenylphosphine,Palladium Diacetate Solvents: Benzene
  标题:Naoh-Promoted Cross-Coupling Reactions Of Organosilicon Compounds With Organic Halides: Practical Routes To Biaryls,Alkenylarenes And Conjugated Dienes
  作者:Hagiwara,Emiko; Et Al
  参考文献:Tetrahedron Letters 日期:1997 卷标:38(3) 页码:439-442]
  
  348-61-8 = 85312-59-0
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Triphenylphosphine,Palladium Diacetate Solvents: Benzene
  标题:Process For Producing Unsaturated Organic Compounds Such As Biaryls Or Arylpyridine Derivatives By Coupling Of Organohalosilane With Halobenzenes Or Halopyridines
  参考文献:World Intellectual Property Organization]
  
  86579-53-5 = 85312-59-0
  反应条件:1.1 Reagents: Magnesium Solvents: Tetrahydrofuran; Heated; 12 H,70 °C2.1 Reagents: Potassium Fluoride Catalysts: (Sp-4-2)-Chloro[2-(9-Phenyl-1,10-Phenanthrolin-2-Yl-Kn1,Kn10)Phenyl-Kc]Palladium Solvents: (+/-)-Propylene Glycol,Dichloromethane; 12 H,100 °C
  标题:The Hiyama Cross-Coupling Reaction At Parts Per Million Levels Of Pd: In Situ Formation Of Highly Active Spirosilicates In Glycol Solvents
  作者:Ichii,Shun; Et Al
  参考文献:Chemistry - An Asian Journal 日期:2019 卷标:14(21) 页码:3850-3854]
  
  168267-41-2 + 167858-55-1 = 85312-59-0
  反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: (Sp-4-2)-Bis[1-(Diphenylphosphino-Kp)-2-Propanolato-Ko]Palladium Solvents: Tetrahydrofuran,Water; Rt; 5 H,Rt1.2 Reagents: Water
  标题:Cross-Coupling Reactions Catalyzed By P,O Chelate Palladium Complexes At Room Temperature
  作者:Guo,Mengping; Et Al
  参考文献:Tetrahedron Letters 日期:2005 卷标:46(52) 页码:9017-9020]
  
  168267-41-2 + 86579-53-5 = 85312-59-0
  反应条件:1.1 Reagents: Potassium Carbonate,Oxygen Catalysts: Palladium (Carbon-Supported) Solvents: Ethanol,Water; 30 Min,80 °C
  标题:An Aerobic And Very Fast Pd/c-Catalyzed Ligand-Free And Aqueous Suzuki Reaction Under Mild Conditions
  作者:Liu,Chun; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2013 卷标:2013(20) 页码:4345-4350]
  
  348-61-8 + 2369676-78-6 = 85312-59-0
  反应条件:1.1 Reagents: Potassium Fluoride Catalysts: (Sp-4-2)-Chloro[2-(9-Phenyl-1,10-Phenanthrolin-2-Yl-Kn1,Kn10)Phenyl-Kc]Palladium Solvents: (+/-)-Propylene Glycol,Dichloromethane; 12 H,100 °C
  标题:The Hiyama Cross-Coupling Reaction At Parts Per Million Levels Of Pd: In Situ Formation Of Highly Active Spirosilicates In Glycol Solvents
  作者:Ichii,Shun; Et Al
  参考文献:Chemistry - An Asian Journal 日期:2019 卷标:14(21) 页码:3850-3854]
  
  696-02-6 = 85312-59-0
  反应条件:1.1 Reagents: Potassium Fluoride Solvents: Dimethylformamide1.2 Catalysts: Dichlorobis[tris(1-Methylethyl)Phosphine]Palladium Solvents: Dimethylformamide
  标题:Cross-Coupling Reactions Of Aryl Chlorides With Organochlorosilanes: Highly Effective Methods For Arylation Or Alkenylation Of Aryl Chlorides
  作者:Gouda,Ken-Ichi; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1996 卷标:61(21) 页码:7232-7233

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2901100000-饱和无环烃
• 💡 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

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
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