CAS: 942282-40-8; 4-Bromo-3-Fluorophenylacetic Acid

• 英文名称4-Bromo-3-Fluorophenylacetic Acid
• 中文名称2-(4-溴-3-氟苯基)乙酸
• IUPAC名称2-(4-bromo-3-fluorophenyl)acetic acid
• 其它别名3-氟-4-溴苯乙酸; Benzeneacetic Acid, 4-Bromo-3-Fluoro-
• CAS编号942282-40-8
• MFCD编号:MFCD12756200
• EINECS号:869-943-0
• 分子式:C8H6BrFO2
• 分子量:233.03
• 产品CID: 1990846
• 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: PSICSVFGBAGWMZ-UHFFFAOYSA-N
• InChI=1S/C8H6BrFO2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数2.0

物理性质

• 熔点111-113°C
• 沸点317.9±27.0 °C at 760 mmHg
• 闪点146.0±23.7 °C
• 密度1.7±0.1 g/cm3
• pKa:3.97±0.10(预测)
• PSA:37.3
• LogP:2.2153
• 折射率1.570
• 蒸汽压0.0±0.7 mmHg at 25°C
• 外观形态白色至类白色粉末
• 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H302 |吞咽有害.
  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
• 危险品标志Xi

欧盟法规

上下游产品

合成工艺路线路线简述

• 499983-13-0 = 942282-40-8
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; 16 H,100 °C
  标题:Preparation Of Pyridine Derivatives As Rearranged During Transfection (Ret) Kinase Inhibitors
  参考文献:World Intellectual Property Organization]
  
  499983-13-0 = 942282-40-8
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Water; 15 H,Reflux
  标题:Preparation Of N-Heterocyclylcarbamates As Lysophosphatidic Acid (Lpa) Receptor Antagonists
  参考文献:World Intellectual Property Organization]
  
  499983-13-0 = 942282-40-8
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; Overnight,80 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; Basified1.3 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Preparation Of Oxabispidines For The Treatment Of Cardiac Arrhythmias
  参考文献:World Intellectual Property Organization]
  
  499983-13-0 = 942282-40-8
  反应条件:1.1 Reagents: Acetic Acid,Sulfuric Acid Solvents: Water; 2 H,105 °C
  标题:Preparation Of Oxazole Derivatives As Hormone Receptor Modulators For Treating Metabolic Conditions And Disorders
  参考文献:World Intellectual Property Organization]
  
  499983-13-0 = 942282-40-8
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; Overnight,80 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Preparation Of Substituted Benzazinones As Antibacterial Compounds
  参考文献:World Intellectual Property Organization]
  
  153556-42-4 + 18107-18-1 = 942282-40-8
  反应条件:1.1 Reagents: Oxalyl Chloride Solvents: Chloroform,Dimethylformamide; Cooled; 3 H,Rt1.2 Solvents: Diethyl Ether,Acetonitrile,Tetrahydrofuran; 0 °C; 2 H,Rt1.3 Reagents: Silver Acetate Solvents: 1,4-Dioxane,Water; 2 H,100 °C1.4 Reagents: Sodium Bicarbonate Solvents: Water; 1 H,Rt
  标题:Preparation Of 1,2,4-Triazolone Derivative As V1B Receptor Antagonist
  参考文献:Japan]
  
  153556-42-4 + 18107-18-1 = 942282-40-8
  反应条件:1.1 Reagents: Oxalyl Chloride Catalysts: Dimethylformamide Solvents: Chloroform; Cooled; 3 H,Rt1.2 Solvents: Diethyl Ether,Acetonitrile,Tetrahydrofuran; 2 H,Rt1.3 Reagents: Silver Acetate Solvents: 1,4-Dioxane,Water; 2 H,100 °C
  标题:Preparation Of 1,2,4-Triazol-3-One Derivatives As Arginine Vasopressin 1B (V1B) Receptor Antagonists
  参考文献:World Intellectual Property Organization

海关参考信息

• 2902600000-乙苯
  2912110000-甲醛
  2912120000-乙醛
  2915110000-甲酸
• 💡 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
• ➥ 危险代码说明
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• ➥ REACH监管