CAS: 94695-48-4; 2,3,4,5-Tetrafluorobenzoylchloride

• 英文名称2,3,4,5-Tetrafluorobenzoylchloride
• 中文名称四氟苯甲酰氯
• IUPAC名称2,3,4,5-tetrafluorobenzoyl chloride
• 其它别名四氟苯甲酰氯; 2,3,4,5-四氟苯甲酰氯,98%
• CAS编号94695-48-4
• MFCD编号:MFCD00075164
• EINECS号:619-058-9
• FDA UNII编号:M5RD6UU23U
• 分子式:C7HClF4O
• 分子量:212.53
• 产品CID: 1999140
• 产品分类有机原料→生命科学→生化试剂→药用辅料

• 相似结构搜索
• 产品信息参考;;;
• InChIKey: XWCKIXLTBNGIHV-UHFFFAOYSA-N
• InChI=1S/C7HClF4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数1.0

相似化合物

物理性质

• 沸点65-66 °C at 10 mmHg
• 闪点90.0±0.0 °C
• 密度1.6±0.1 g/cm3
• PSA:17.07
• LogP:2.622
• 折射率1.462
• 蒸汽压1.2±0.3 mmHg at 25°C
• 敏感性易受潮
• 外观形态无色至淡黄色透明液体
• 储存条件2-8°C, stored under nitrogen
• 产品应用用于生产左旋氧氟沙星.
• 性质描述无色透明液体,沸点65-66°C10mmHg,密度1.58g/mLat25°C,折光系数n20/D1.4787,闪点194°F.

MSDS等安全信息

• GHS象形图
• GHS符号GHS05;
  注释: Corrosion
• 危险类别皮肤腐蚀 类别1B
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2
  严重眼损伤 类别1
  金属腐蚀物 类别1
  皮肤腐蚀 类别1C
• 警示词Danger(危险)
• 危险描述H314 |造成严重皮肤灼伤和眼损伤.
  H335 |可能引起呼吸道刺激.
  H319 |造成严重眼刺激.
  H318 |造成严重眼损伤.
  H290 |可能对金属造成腐蚀.
• 防范说明P210-P260-P264-P280-P301+P330+P331-P304+P340-P363-P370+P378-P403-P405-P501
• 危险等级8
• UN编号3265.0
• 危险品标志C
• 风险等级Corrosive
• 包装等级Ⅱ
• 安全声明26-36/37/39-45-25
• 危险类别码34-37-36/37
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 1201-31-6 = 94695-48-4
  反应条件:1.1 Reagents: Triphosgene Catalysts: 4-Methyl-1-Piperazinecarboxaldehyde,Divinylbenzene-Vinylbenzyl Chloride Copolymer Solvents: Chlorobenzene,Dimethylacetamide; Rt -> 30 °C; 3 H,30 °C
  标题:Preparation Of 2,3,4,5-Tetrafluorobenzoyl Chloride
  参考文献:China]
  
  1201-31-6 = 94695-48-4
  反应条件:1.1 Reagents: Triphosgene Catalysts: 1-Piperazinecarboxaldehyde (Bonded On Merrifield Resin) Solvents: 2-Methyltetrahydrofuran; Rt -> 65 °C; 8 H,60 - 65 °C
  标题:Process For Preparation Of 2,3,4,5-Tetrafluorobenzoyl Chloride
  参考文献:China]
  
  1201-31-6 = 94695-48-4 [标题:Reaction Conditions
  标题:Preparation Of Pyridinylquinolones As Antibacterials
  参考文献:European Patent Organization]
  
  1201-31-6 = 94695-48-4
  反应条件:1.1 Reagents: Thionyl Chloride
  标题:Preparation And Testing Of 9-Fluoro-6-Oxo-10-Pyridinylpyrido[1,2,3-De][1,4]Benzoxazine-6-Carboxylates And -Benzothiazine-6-Carboxylates As Antimicrobials
  参考文献:European Patent Organization]
  
  1201-31-6 = 94695-48-4
  反应条件:1.1 Reagents: Triphosgene Catalysts: Dimethylformamide Solvents: 1,2-Dichloroethane; 1 H,353 K; 4 H,353 K
  标题:Facile And Selective Synthesis Of 2,3,4,5-Tetrafluorobenzoyl Chloride With Triphosgene
  作者:Yang,Juhong; Han,Xiaoxiang; Zhou,Lingxiao; Xiong,Chunhua
  参考文献:Asian Journal Of Chemistry 日期:2011 卷标:23(4) 页码:1615-1617]
  
  652-03-9 = 94695-48-4
  反应条件:1.1 Reagents: Tributylamine; Rt -> 120 °C; 2 H,120 °C; 120 °C -> 60 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 14,60 °C1.3 Reagents: Sulfuric Acid Solvents: Water; Ph 1,Cooled1.4 Reagents: Thionyl Chloride; Rt; Rt -> 70 °C; 3 H,70 °C; 70 °C -> 85 °C; 5 H,85 °C
  标题:A Method For Preparing 2,3,4,5-Tetrafluorobenzoyl Chloride
  参考文献:China]
  
  157766-28-4 = 94695-48-4
  反应条件:1.1 Reagents: Water Catalysts: Iron Chloride (Fecl3); 120 °C
  标题:Process For Preparation Of Multiply Halogenated Benzotrichlorides And Benzoyl Chlorides,And New Trihalobenzotrichlorides And -Benzoyl Chlorides,Useful For Preparation Of Quinolinecarboxylic Acid Antibacterials
  参考文献:Germany]
  
  1201-31-6 = 94695-48-4
  反应条件:1.1 Reagents: Phosphorus Oxychloride
  标题:3,28-Bis-O-Polyfluorobenzoylbetulin. Synthesis,Molecular Structure,And Cytotoxicity
  作者:Trishin,Yu. G.; Fedorov,A. N.; Lyssenko,K. A.; Prokof'Eva,D. S.; Rudenok,Yu. S.; Et Al
  参考文献:Russian Journal Of Organic Chemistry 日期:2018 卷标:54(10) 页码:1480-1485]
  
  1201-31-6 = 94695-48-4
  反应条件:1.1 Reagents: Oxalyl Chloride Catalysts: Dimethylformamide Solvents: Dichloromethane; 16 H,22 °C
  标题:Quantification Of Small Molecule-Protein Interactions Using Fret Between Tryptophan And The Pacific Blue Fluorophore
  作者:Lee,Molly M.; Peterson,Blake R.
  参考文献:Acs Omega 日期:2016 卷标:1(6) 页码:1266-1276]
  
  1201-31-6 = 94695-48-4
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Benzene; 1 H,Rt; 4 - 6 H,Reflux
  标题:Antimycobacterial And Antimicrobial Studies Of Newly Synthesized 3-(4-(6-Methylbenzo[d]Thiazol-2-Yl) Phenyl)Quinazolin-4(3H)-Ones
  作者:Shaikh,Asif R.; Patel,Navin B.; Rajani,Dhanji
  参考文献:Indian Journal Of Research In Pharmacy And Biotechnology 日期:2014 卷标:2(1) 页码:935-942]
  
  1201-31-6 = 94695-48-4
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dimethylformamide; Rt -> 70 °C
  标题:Preparation Method Of Tetrafluorobenzyl Alcohol
  参考文献:China]
  
  1201-31-6 = 94695-48-4
  反应条件:1.1 Reagents: Oxalyl Chloride Catalysts: Dimethylformamide Solvents: Diethyl Ether; 0.5 H,0 °C; Overnight,Rt
  标题:Preparation Method Of Levofloxacin Hydrochloride
  参考文献:China]
  
  1201-31-6 = 94695-48-4
  反应条件:1.1 Catalysts: Dimethylformamide Solvents: Dichloromethane; Rt -> 0 °C1.2 Reagents: Thionyl Chloride; 0 °C; 0 °C -> Rt; Overnight,Rt
  标题:Process For Preparation Of 1-Cyclopropyl-6,8-Difluoro-1,4-Dihydro-7-[(4As,7As)-Octahydro-6H-Pyrrolo[3,4-B]Pyridin-6-Yl]-4-Oxo-3-Quinolinecarboxylic Acid
  参考文献:China]
  
  1201-31-6 = 94695-48-4
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dimethylformamide; Rt -> 90 °C; 6 - 8 H
  标题:Synthetic Process For The Preparation Of Levofloxacin Hemihydrate From Levofloxacin
  参考文献:World Intellectual Property Organization]
  
  1201-31-6 = 94695-48-4
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dimethylformamide,Toluene; 55 - 60 °C
  标题:Quinolone Dimers As Potential Antibacterial Agents
  作者:Chepyala,Naveenkumar R.; Durgi,Rajashaker R.; Tatini,Lakshmi K.; Subbaraju,Gottumukkala V.; Hindupur,Rama M.; Et Al
  参考文献:Letters In Organic Chemistry 日期:2011 卷标:8(9) 页码:637-643]
  
  = 94695-48-4
  反应条件:1.1 Reagents: Potassium Fluoride Catalysts: Tetramethylammonium Chloride Solvents: Toluene; Rt -> 100 °C; 0.4 Mpa,100 °C -> 150 °C; 5 H,120 - 150 °C; 150 °C -> 50 °C1.2 Reagents: Sodium Carbonate,Water; Rt -> 80 °C; 5 H,75 - 80 °C; 80 °C -> 30 °C1.3 Reagents: Thionyl Chloride; 45 °C; 2 H,45 °C; 45 °C -> 80 °C; 3 H,75 - 80 °C
  标题:Efficient Green Synthesis Method Of 2,3,4,5-Tetrafluorobenzoyl Chloride For Producing Levofloxacin
  参考文献:China]
  
  = 94695-48-4
  反应条件:1.1 Reagents: Sodium Tetrafluoroborate Solvents: Water; Cooled
  标题:A Novel Synthesis Of Quinolone-Ofloxacin
  作者:Jha,Kamlodvab; Thakur,B. G.
  参考文献:Journal Chemtracks 日期:2010 卷标:12(2) 页码:455-462]
  
  1201-31-6 = 94695-48-4
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dimethylformamide; 7 H,Reflux
  标题:Preparation Method Of Marbofloxacin Intermediate
  参考文献:China]
  
  1201-31-6 = 94695-48-4
  反应条件:1.1 Reagents: Oxalyl Chloride Catalysts: Dimethylformamide Solvents: Dichloromethane; 2 H,Rt
  标题:General C-H Arylation Strategy For The Synthesis Of Tunable Visible Light-Emitting Benzo[a]Imidazo[2,1,5-C,D]Indolizine Fluorophores
  作者:Levesque,Eric; Bechara,William S.; Constantineau-Forget,Lea; Pelletier,Guillaume; Rachel,Natalie M.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2017 卷标:82(10) 页码:5046-5067]
  
  1201-31-6 = 94695-48-4
  反应条件:1.1 Reagents: Pyridine,Thionyl Chloride Solvents: Toluene; Rt -> Reflux; Reflux; 4 H,Reflux
  标题:Process For Preparation Of Ethyl 3-(N-Methyl-N-Benzylamino)-2-(2,3,4,5-Tetrafluorobenzoyl)Acrylate
  参考文献:China

海关参考信息

• 2912110000-甲醛
  2912210000-苯甲醛
  2903110000-一氯甲烷及氯乙烷
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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