CAS: 93224-85-2; 2-Bromo-6-Chlorobenzoic Acid

• 英文名称2-Bromo-6-Chlorobenzoic Acid
• 中文名称2-溴-6-氯苯甲酸
• IUPAC名称2-bromo-6-chlorobenzoic acid
• 其它别名2-Bromo-6-Chlorobenzoic Acid2-溴-6-氯苯甲酸; 2-Bromo-6-Chloro-Benzoic Acid
• CAS编号93224-85-2
• MFCD编号:MFCD00672929
• EINECS号:622-296-6
• FDA UNII编号:62KG5T44XB
• 分子式:C7H4BrClO2
• 分子量:235.46
• 产品CID: 1970652
• 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
• InChIKey: URGXUQODOUMRFP-UHFFFAOYSA-N
• InChI=1S/C7H4BrClO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点148-152°C
• 沸点315.9±27.0 °C at 760 mmHg
• 闪点144.8±23.7 °C
• 密度1.8±0.1 g/cm3
• pKa:1.62±0.10(预测)
• PSA:37.3
• LogP:2.8007
• 折射率1.621
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性Chloroform (Slightly), Ethyl Acetate (Slightly)
• 外观形态白色至橙色至绿色粉末至晶体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于单溴硫化钠(D436490)混合物.

MSDS等安全信息

• GHS象形图
• GHS符号GHS06;
  注释: Skull and crossbones
• 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
  急性毒性 类别3(经口)
  严重眼刺激 类别2A
• 警示词Danger(危险)
• 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.
  H301 |吞咽会中毒.
• 防范说明P264-P270-P330-P405-P501
• 危险等级6.1
• UN编号2811.0
• 危险品标志Xi,T
• 包装等级Ⅲ
• 安全声明26-45
• 危险类别码25-36/37/38
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 108-37-2 = 93224-85-2
  反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran; -78 °C; 1 H,-78 °C1.2 -78 °C; 2 H,-78 °C -> Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Rt
  标题:Synthesis Of Pyrrolnitrin And Related Halogenated Phenylpyrroles
  作者:Morrison,Matthew D.; Hanthorn,Jason J.; Pratt,Derek A.
  参考文献:Organic Letters 日期:2009 卷标:11(5) 页码:1051-1054]
  
  108-37-2 = 93224-85-2
  反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran; -78 °C; 1 H,-78 °C1.2 -
  标题:Synthesis Of 1-Substituted Fluorenones
  作者:George,Stephen R. D.; Scott,Lawrence T.; Harper,Jason B.
  参考文献:Polycyclic Aromatic Compounds 日期:2016 卷标:36(5) 页码:697-715]
  
  108-37-2 = 93224-85-2
  反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran; 2 H,-78 °C1.2 15 Min,-78 °C1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:Acylpiperidine Compounds As Renin Inhibitors And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Diseases Associated With Aspartic Protease Activity
  参考文献:World Intellectual Property Organization]
  
  104514-49-0 = 93224-85-2
  反应条件:1.1 Reagents: Chloro(1-Methylethyl)Magnesium Solvents: Tetrahydrofuran; -40 °C1.2 -1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:Halogen-Metal Exchange Of 3-Substituted 1,2-Dibromoarenes: The Use Of Long-Range Jch Coupling Constants To Determine Regiochemistry
  作者:Dimichele,Lisa; Menzel,Karsten; Mills,Paul; Frantz,Doug; Nelson,Todd
  参考文献:Magnetic Resonance In Chemistry 日期:2006 卷标:44(11) 页码:1041-1043]
  
  104514-49-0 = 93224-85-2
  反应条件:1.1 Reagents: Chloro(1-Methylethyl)Magnesium Solvents: Tetrahydrofuran; Rt -> -40 °C; 2 H,-40 °C1.2 1 H,-40 °C
  标题:Regioselective Halogen-Metal Exchange Reaction Of 3-Substituted 1,2-Dibromo Arenes: The Synthesis Of 2-Substituted 5-Bromobenzoic Acids
  作者:Menzel,Karsten; Dimichele,Lisa; Mills,Paul; Frantz,Doug E.; Nelson,Todd D.; Et Al
  参考文献:Synlett 日期:2006 卷标:(12) 页码:1948-1952]
  
  118-91-2 = 93224-85-2
  反应条件:1.1 Reagents: N,N,N′,N′-Tetramethylethylenediamine,Sec-Butyllithium Solvents: Tetrahydrofuran; -78 °C; 0.5 H,-78 °C1.2 Reagents: 1,2-Dibromo-1,1,2,2-Tetrachloroethane,Hydrochloric Acid,Water Solvents: Tetrahydrofuran; -78 °C; -78 °C -> Rt; Acidified,Rt
  标题:Ortholithiation Of Unprotected Benzoic Acids: Application For Novel 2-Chloro-6-Substituted Benzoic Acid Syntheses
  作者:Gohier,Frederic; Castanet,Anne-Sophie; Mortier,Jacques
  参考文献:Synthetic Communications 日期:2005 卷标:35(6) 页码:799-806]
  
  = 93224-85-2 [标题:Reaction Conditions
  标题:Preparation Of Novel Phenylalanine Derivatives As Inhibitors Of Integrin α4
  参考文献:World Intellectual Property Organization]
  
  108-37-2 = 93224-85-2
  反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran; 0.5 H,-77 °C; 4 H,-75 °C1.2 -70 °C; 5.5 H,-70 °C -> 20 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; 40 Min,Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 0.5
  标题:Process Development And Pilot Plant Synthesis Of Methyl 2-Bromo-6-Chlorobenzoate
  作者:Hickey,Matthew R.; Allwein,Shawn P.; Nelson,Todd D.; Kress,Michael H.; Sudah,Osama S.; Et Al
  参考文献:Organic Process Research & Development 日期:2005 卷标:9(6) 页码:764-767]
  
  108-37-2 = 93224-85-2
  反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran,Hexane; 2 H,-78 °C1.2 15 Min,-78 °C1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:Piperidinyl Pyrrolidinyl Methanone Compounds As Renin Inhibitors And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Diseases Associated With Aspartic Protease Activity
  参考文献:World Intellectual Property Organization]
  
  108-37-2 = 93224-85-2
  反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran; -78 °C; 1 H,-78 °C1.2 20 Min,-78 °C1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:Preparation Of Substituted Benzoylpiperidine Derivatives And Analogs As Renin Inhibitors
  参考文献:World Intellectual Property Organization]
  
  108-37-2 = 93224-85-2
  反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran,Hexane; 1 H,-78 °C1.2 20 Min,-78 °C1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:Preparation Of Substituted Carbonylpiperidine Derivatives As Renin Inhibitors
  参考文献:World Intellectual Property Organization]
  
  108-37-2 = 93224-85-2
  反应条件:1.1 Reagents: Butyllithium,2,2,6,6-Tetramethylpiperidine Solvents: Tetrahydrofuran,Hexane; -78 °C; 2 H,-78 °C1.2 -78 °C -> Rt
  标题:Preparation Of N-Biphenylmethyl Cycloalkanecarboxamides As Bradykinin Antagonists For Treatment Of Conditions Associated With The Bradykinin B1 Pathway.
  参考文献:World Intellectual Property Organization]
  
  = 93224-85-2 [标题:Reaction Conditions
  标题:Preparation Of Novel Phenylalanine Derivatives As α4 Integrin Inhibitors
  参考文献:World Intellectual Property Organization]
  
  = 93224-85-2 [标题:Reaction Conditions
  标题:Preparation Of Novel Phenylalanine Derivatives Having α4 Integrin-Inhibitory Activity
  参考文献:World Intellectual Property Organization]
  
  = 93224-85-2 [标题:Reaction Conditions
  标题:The Acidifying Effects Of Chlorine And Bromine: Little Difference
  作者:Mongin,Florence; Schlosser,Manfred
  参考文献:Tetrahedron Letters 日期:1997 卷标:38(9) 页码:1559-1562

海关参考信息

• 2903919090-氯苯
  2905110000-甲醇
  2906210000-苄醇
  2912110000-甲醛
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