CAS: 944129-07-1; (4-Chloro-2-Fluoro-3-Methoxyphenyl)Boronic Acid

• 英文名称(4-Chloro-2-Fluoro-3-Methoxyphenyl)Boronic Acid
• 中文名称(4-氯-2-氟-3-甲氧基苯基)硼酸
• IUPAC名称(4-chloro-2-fluoro-3-methoxyphenyl)boronic acid
• 其它别名2-氟-3-甲氧基-4-氯苯硼酸; 4-Chloro-2-Fluoro-3-Methoxyphenylboronic Acid
• CAS编号944129-07-1
• MFCD编号:MFCD17015742
• EINECS号:696-001-4
• 分子式:C7H7BClFO3
• 分子量:204.39
• 产品CID: 1994560
• 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: GDJCQSNQOHRAGY-UHFFFAOYSA-N
• InChI=1S/C7H7BClFO3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3,11-12H,1H3…
• 计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数2.0

物理性质

• 熔点246-249 °C
• 沸点342.7±52.0 °C at 760 mmHg
• 闪点161.1±30.7 °C
• 密度1.4±0.1 g/cm3
• pKa:7.71±0.58(预测)
• PSA:49.69
• LogP:0.1675
• 折射率1.525
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性Dichloromethane;
• 外观形态白色固体
• 储存条件密封干燥,2-8°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别严重眼刺激 类别2
  急性毒性 类别4(经皮)
  急性毒性 类别3(经口)
  皮肤腐蚀 类别1B
  严重眼损伤 类别1
  金属腐蚀物 类别1
  皮肤腐蚀 类别1
  急性毒性 类别4(经口)
  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2A
• 警示词Warning(警告)
• 危险描述H319 |造成严重眼刺激.
  H312 |皮肤接触有害.
  H301 |吞咽会中毒.
  H314 |造成严重皮肤灼伤和眼损伤.
  H318 |造成严重眼损伤.
  H290 |可能对金属造成腐蚀.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志Xn

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 4-Chloro-2-Fluoro-3-Methoxyphenylboronic Acid 主要起始原料 2-Chloro-6-Fluoroanisole
• 53145-38-3 = 944129-07-1
  反应条件:1.1 Reagents: Butyllithium Solvents: Hexane,1,2-Dimethoxyethane; 45 Min,-77 °C -> -70.1 °C; 1 H,-72.1 °C1.2 Reagents: Trimethyl Borate; 22 Min,-72.1 °C -> -67 °C; Overnight,-67 °C -> Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; 22.7 °C; 1.5 H,Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
  标题:Methods Of Isolating 4-Chloro-2-Fluoro-3-Substituted-Phenylboronic Acids
  参考文献:World Intellectual Property Organization]
  
  53145-38-3 = 944129-07-1
  反应条件:1.1 Reagents: Butyllithium,Trimethyl Borate Solvents: Tetrahydrofuran,Hexane; -50 °C
  标题:Design And Application Of A Low-Temperature Continuous Flow Chemistry Platform
  作者:Newby,James A.; Blaylock,D. Wayne; Witt,Paul M.; Pastre,Julio C.; Zacharova,Marija K.; Et Al
  参考文献:Organic Process Research & Development 日期:2014 卷标:18(10) 页码:1211-1220]
  
  1628881-44-6 = 944129-07-1
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Hexane1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1
  标题:Reconfiguration Of A Continuous Flow Platform For Extended Operation: Application To A Cryogenic Fluorine-Directed Ortho-Lithiation Reaction
  作者:Newby,James A.; Blaylock,D. Wayne; Witt,Paul M.; Turner,Richard M.; Heider,Patrick L.; Et Al
  参考文献:Organic Process Research & Development 日期:2014 卷标:18(10) 页码:1221-1228]
  
  = 944129-07-1
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; Rt; 15 Min,Rt1.2 Solvents: Acetonitrile; 20 Min,20 °C
  标题:Methods And Systems For Forming Boronic Acids And Intermediates Thereof
  参考文献:United States]
  
  53145-38-3 = 944129-07-1
  反应条件:1.1 Reagents: Butyllithium Solvents: 1,2-Dimethoxyethane; < -65 °C1.2 Reagents: Trimethyl Borate; -65 °C -> Rt1.3 Reagents: Potassium Hydroxide Solvents: Water; Rt -> 30 °C; 90 Min,25 - 30 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; Acidified,25 - 30 °C
  标题:Process For The Preparation Of Methyl 4-Amino-3-Chloro-6-(4-Chloro-2-Fluoro-3-Methoxyphenyl)Pyridine-2-Carboxylate
  参考文献:World Intellectual Property Organization]
  
  1426539-30-1 = 944129-07-1
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: 1,2-Dimethoxyethane,Water; 2 H,25 - 30 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 15 Min,25 - 30 °C
  标题:Methods Of Forming 4-Chloro-2-Fluoro-3-Substituted-Phenylboronic Acid Pinacol Esters And Methods Of Using The Same
  参考文献:World Intellectual Property Organization]
  
  53145-38-3 = 944129-07-1
  反应条件:1.1 Reagents: Butyllithium Solvents: Hexane,1,2-Dimethoxyethane; 4.15 H,-70 °C -> -65 °C1.2 Reagents: Trimethyl Borate; 1.6 H,-70 °C -> -65 °C1.3 Reagents: Potassium Hydroxide Solvents: Water; 60 Min,Rt1.4 Reagents: Hydrochloric Acid Solvents: Water
  标题:Process For The Selective Deprotonation And Functionalization Of 1-Fluoro-2-Substituted-3-Chlorobenzenes
  参考文献:World Intellectual Property Organization

海关参考信息

• 2903919090-氯苯
  2905110000-甲醇
  2908199090-其他酚的卤化衍生物
  2908999090-其他酚的硝化衍生物
• 💡 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

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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