CAS: 872460-12-3; 3-Carboxy-4-Fluorophenylboronic Acid

• 英文名称3-Carboxy-4-Fluorophenylboronic Acid
• 中文名称3-羧基-4-氟苯硼酸
• IUPAC名称5-borono-2-fluorobenzoic acid
• 其它别名3-羧基-4-氟(代)苯硼酸; 3-Carboxy-4-Fluorobenzeneboronic Acid (Contains Varying Amounts Of Anhydride)
• CAS编号872460-12-3
• MFCD编号:MFCD03095129
• EINECS号:677-209-4
• 分子式:C7H6BFO4
• 分子量:183.93
• 产品CID: 1878570
• 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: DGORTXQWDDXSIQ-UHFFFAOYSA-N
• InChI=1S/C7H6BFO4/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,12-13H,(H,10,11)…
• 计算化学: 氢键受体数3.0氢键供体数3可旋转键数2

物理性质

• 熔点217-219°C
• 沸点412.6°C at 760 mmHg
• 闪点203.3±31.5 °C
• 密度1.5±0.1 g/cm3
• pKa:3.28±0.10(预测)
• PSA:77.76
• LogP:-0.7963
• 折射率1.560
• 蒸汽压0.0±1.0 mmHg at 25°C
• 外观形态白色结晶性固体
• 储存条件惰性气氛,室温

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
• 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, KEEP COLD
• UN编号NONH for all modes of transport
• 危险品标志Xi,Xn
• 风险等级Irritant/Keep Cold
• 安全声明26-36
• 危险类别码36/37/38-22

欧盟法规

上下游产品

合成工艺路线路线简述

• 872460-12-3 + 10017-11-5 = 872460-12-3
  反应条件:1.1 Reagents: N-Hydroxysuccinimide,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dimethylformamide,Water; 15 Min,Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; 24 H,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; 7 D,Rt
  标题:Cross-Linking-Density-Changeable Microneedle Patch Prepared From A Glucose-Responsive Hydrogel For Insulin Delivery
  作者:Chen,Xiang; Et Al
  参考文献:Acs Biomaterials Science & Engineering 日期:2021 卷标:7(10) 页码:4870-4882]
  
  13590-42-6 + 80506-64-5 = 872460-12-3
  反应条件:1.1 Solvents: Dimethylformamide,Dichloromethane; 48 H,35 °C2.1 Solvents: N-Methyl-2-Pyrrolidone; 1 H,0 °C2.2 Reagents: Acetic Acid Solvents: Water; Neutralized,0 °C3.1 Reagents: Sodium Hydroxide,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide,N-Hydroxysuccinimide Solvents: Water; 1 H,Ph 5.5,Rt3.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 5.5 - 6,Rt; 24 H,Rt
  标题:Atp-Charged Nanoclusters Enable Intracellular Protein Delivery And Activity Modulation For Cancer Theranostics
  作者:Zhou,Zhanwei; Et Al
  参考文献:Iscience 日期:2020 卷标:23(2)]
  
  872460-12-3 + 2177-63-1 + 75-21-8 = 872460-12-3
  反应条件:1.1 Reagents: Sodium Hydroxide,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide,N-Hydroxysuccinimide Solvents: Water; 1 H,Ph 5.5,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 5.5 - 6,Rt; 24 H,Rt
  标题:Atp-Charged Nanoclusters Enable Intracellular Protein Delivery And Activity Modulation For Cancer Theranostics
  作者:Zhou,Zhanwei; Et Al
  参考文献:Iscience 日期:2020 卷标:23(2)]
  
  2177-63-1 + 75-21-8 = 872460-12-3
  反应条件:1.1 Solvents: N-Methyl-2-Pyrrolidone; 1 H,0 °C1.2 Reagents: Acetic Acid Solvents: Water; Neutralized,0 °C2.1 Reagents: Sodium Hydroxide,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide,N-Hydroxysuccinimide Solvents: Water; 1 H,Ph 5.5,Rt2.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 5.5 - 6,Rt; 24 H,Rt
  标题:Atp-Charged Nanoclusters Enable Intracellular Protein Delivery And Activity Modulation For Cancer Theranostics
  作者:Zhou,Zhanwei; Et Al
  参考文献:Iscience 日期:2020 卷标:23(2)

海关参考信息

• 2905110000-甲醇
  2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
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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