CAS: 85118-07-6; (3,4-Difluorophenyl)(Phenyl)Methanone

• 英文名称(3,4-Difluorophenyl)(Phenyl)Methanone
• 中文名称3,4-二氟二苯甲酮
• IUPAC名称(3,4-difluorophenyl)(phenyl)methanone
• 其它别名3,4-二氟苯甲酮; Methanone, (3-Fluorophenyl)(4-Fluorophenyl)-
• CAS编号85118-07-6
• MFCD编号:MFCD00009892
• EINECS号:285-659-4
• 分子式:C13H8F2O
• 分子量:218.2
• 产品CID: 1844916
• 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: ZJTYHSBOZAQQGF-UHFFFAOYSA-N
• InChI=1S/C13H8F2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数2.0

物理性质

• 熔点53-55°C
• 沸点314.2±32.0 °C at 760 mmHg
• 闪点113°C
• 密度1.2±0.1 g/cm3
• PSA:17.07
• LogP:3.1958
• 折射率1.550
• 蒸汽压0.0±0.7 mmHg at 25°C
• 敏感性按规定使用和贮存的不会分解，避氧化物
• 外观形态白色至淡黄色至浅橙色粉末至晶体
• 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
• 警示词Warning(警告)
• 危险描述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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级IRRITANT
• 危险品标志Xi
• 安全声明26-37/39
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 168267-41-2 + 135364-97-5 = 85118-07-6
  反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: [1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-2-Imidazolidinylidene]Chloro(η3-2-Propen-... Solvents: Toluene,Water; 15 H,Rt
  标题:General Method For The Suzuki-Miyaura Cross-Coupling Of Primary Amide-Derived Electrophiles Enabled By [pd(Nhc)(Cin)Cl] At Room Temperature
  作者:Lei,Peng; Meng,Guangrong; Ling,Yun; An,Jie; Nolan,Steven P.; Et Al
  参考文献:Organic Letters 日期:2017 卷标:19(24) 页码:6510-6513]
  
  98-80-6 = 85118-07-6
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: (Sp-4-1)-[1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Yliden... Solvents: Tetrahydrofuran; Rt; 15 H,60 °C
  标题:Pd-Peppsi: Pd-Nhc Precatalyst For Suzuki-Miyaura Cross-Coupling Reactions Of Amides
  作者:Lei,Peng; Meng,Guangrong; Ling,Yun; An,Jie; Szostak,Michal
  参考文献:Journal Of Organic Chemistry 日期:2017 卷标:82(13) 页码:6638-6646]
  
  98-80-6 = 85118-07-6
  反应条件:1.1 Reagents: Potassium Carbonate,Water Catalysts: [1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Ylidene]Chloro[... Solvents: Tetrahydrofuran; Rt; 15 H,65 °C
  标题:N-Methylamino Pyrimidyl Amides (Mapa): Highly Reactive,Electronically-Activated Amides In Catalytic N-C(O) Cleavage
  作者:Meng,Guangrong; Lalancette,Roger; Szostak,Roman; Szostak,Michal
  参考文献:Organic Letters 日期:2017 卷标:19(17) 页码:4656-4659]
  
  98-80-6 = 85118-07-6
  反应条件:1.1 Reagents: Potassium Carbonate,Water Catalysts: [1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Ylidene]Chloro[... Solvents: 2-Methyltetrahydrofuran; 15 H,23 °C
  标题:2-Methyltetrahydrofuran (2-Methf): A Green Solvent For Pd-Nhc-Catalyzed Amide And Ester Suzuki-Miyaura Cross-Coupling By N-C/o-C Cleavage
  作者:Lei,Peng; Ling,Yun; An,Jie; Nolan,Steven P.; Szostak,Michal
  参考文献:Advanced Synthesis & Catalysis 日期:2019 卷标:361(24) 页码:5654-5660]
  
  98-80-6 = 85118-07-6
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: [1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Ylidene]Chloro[... Solvents: Tetrahydrofuran; Rt; 15 H,60 °C
  标题:General Method For The Suzuki-Miyaura Cross-Coupling Of Amides Using Commercially Available,Air- And Moisture-Stable Palladium/nhc (Nhc = N-Heterocyclic Carbene) Complexes
  作者:Lei,Peng; Meng,Guangrong; Szostak,Michal
  参考文献:Acs Catalysis 日期:2017 卷标:7(3) 页码:1960-1965]
  
  98-80-6 = 85118-07-6
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: (Sp-4-1)-[1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Yliden... Solvents: 1,4-Dioxane; 15 H,80 °C
  标题:N-Acylphthalimides: Efficient Acyl Coupling Reagents In Suzuki-Miyaura Cross-Coupling By N-C Cleavage Catalyzed By Pd-Peppsi Precatalysts
  作者:Rahman,Mahbubur Md.; Buchspies,Jonathan; Szostak,Michal
  参考文献:Catalysts 日期:2019 卷标:9(2) 页码:129/1-129/11]
  
  1620217-64-2 = 85118-07-6
  反应条件:1.1 Reagents: N-Bromosuccinimide,Water Solvents: Chloroform; 3 H,Reflux1.2 Reagents: Sodium Thiosulfate Solvents: Water
  标题:Synthesis Of Structurally Diverse Diarylketones Through The Diarylmethyl Sp3 C-H Oxidation
  作者:He,Chao; Zhang,Xiaohui; Huang,Ruofeng; Pan,Jing; Li,Jiaqiang; Et Al
  参考文献:Tetrahedron Letters 日期:2014 卷标:55(32) 页码:4458-4462]
  
  98-80-6 = 85118-07-6
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: (Sp-4-1)-[1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Yliden... Solvents: Tetrahydrofuran; Rt; 15 H,80 °C; 80 °C -> Rt
  标题:N-Acylcarbazoles And N-Acylindoles: Electronically Activated Amides For N-C(O) Cross-Coupling By Nlp To Ar Conjugation Switch
  作者:Buchspies,Jonathan; Rahman,Mahbubur Md.; Szostak,Roman; Szostak,Michal
  参考文献:Organic Letters 日期:2020 卷标:22(12) 页码:4703-4709]
  
  98-80-6 = 85118-07-6
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Boric Acid (H3Bo3),Dichlorobis(Tricyclohexylphosphine)Palladium Solvents: Tetrahydrofuran; 15 H,120 °C
  标题:Suzuki-Miyaura Cross-Coupling Of Amides Using Well-Defined,Air-Stable [(Pr3)2Pd(Ii)X2] Precatalysts
  作者:Ma,Siyue; Zhou,Tongliang; Li,Guangchen; Szostak,Michal
  参考文献:Advanced Synthesis & Catalysis 日期:2020 卷标:362(9) 页码:1887-1892]
  
  98-80-6 = 85118-07-6
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: [1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Ylidene]Chloro[... Solvents: Tetrahydrofuran; 15 H,23 °C
  标题:Suzuki-Miyaura Cross-Coupling Of Amides And Esters At Room Temperature: Correlation With Barriers To Rotation Around C-N And C-O Bonds
  作者:Lei,Peng; Meng,Guangrong; Shi,Shicheng; Ling,Yun; An,Jie; Et Al
  参考文献:Chemical Science 日期:2017 卷标:8(9) 页码:6525-6530]
  
  98-80-6 = 85118-07-6
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Stereoisomer Of [1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-2-Imidazolidinylidene]Chl... Solvents: Tetrahydrofuran; Rt; 15 H,110 °C
  标题:Suzuki-Miyaura Cross-Coupling Of N-Acylpyrroles And Pyrazoles: Planar,Electronically Activated Amides In Catalytic N-C Cleavage
  作者:Meng,Guangrong; Szostak,Roman; Szostak,Michal
  参考文献:Organic Letters 日期:2017 卷标:19(13) 页码:3596-3599]
  
  = 85118-07-6
  反应条件:1.1 Catalysts: Trifluoromethanesulfonic Acid Solvents: Benzene; 15 H,23 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:Sterically-Controlled Intermolecular Friedel-Crafts Acylation With Twisted Amides Via Selective N-C Cleavage Under Mild Conditions
  作者:Liu,Yongmei; Meng,Guangrong; Liu,Ruzhang; Szostak,Michal
  参考文献:Chemical Communications (Cambridge 日期:2016 卷标:52(41) 页码:6841-6844]
  
  2927-34-6 = 85118-07-6
  反应条件:1.1 Reagents: Water,Sodium Dodecylbenzenesulfonate Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol; 16 H,Rt
  标题:Direct Dehydrogenative Access To Unsymmetrical Phenones
  作者:Yu,Congjun; Huang,Raolin; Patureau,Frederic W.
  参考文献:Angewandte Chemie 日期:2022 卷标:61(20)

海关参考信息

• 2912110000-甲醛
  2912210000-苯甲醛
  2914190090-其他无环酮
  2914399090-其他芳香酮
• 💡 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
• ➥ Globally Harmonized System
• ➥ REACH监管