CAS: 934-05-4; Methyl 4-Bromo-1H-Pyrrole-2-Carboxylate

• 英文名称Methyl 4-Bromo-1H-Pyrrole-2-Carboxylate
• 中文名称甲基4-溴吡咯-2-羧酸酯
• IUPAC名称methyl 4-bromo-1H-pyrrole-2-carboxylate
• 其它别名4-溴吡咯-2-甲酸甲酯; Methyl 4-Bromopyrrole-2-Carboxylate
• CAS编号934-05-4
• MFCD编号:MFCD00832855
• EINECS号:807-000-7
• 分子式:C6H6BrNO2
• 分子量:204.02
• 产品CID: 1973330
• 产品分类有机原料→分子砌块→芳杂环类化合物→吡咯类化合物

• 相似结构搜索
• InChIKey: ZXFCRVGOHJHZNF-UHFFFAOYSA-N
• InChI=1S/C6H6BrNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数1.0

相似化合物

物理性质

• 熔点100-101°C
• 沸点290.5°C at 760 mmHg
• 闪点129.5°C
• 密度1.674±0.06 g/cm3(预测)
• pKa:13.49±0.50(预测)
• PSA:42.09
• LogP:1.5638
• 折射率1.573
• 外观形态白色至橙色至绿色粉末至晶体
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用该化合物用于合成基于丙烯丙烯酯的聚氨酯聚氨醇(MCH-R1)抗体.

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
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2A
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
• 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.
  H335 |可能引起呼吸道刺激.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
• 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
• 危险品标志Xi
• 安全声明24/25

欧盟法规

上下游产品

合成工艺路线路线简述

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  1193-62-0 = 934-05-4
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  72652-32-5 = 934-05-4
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  72652-32-5 = 934-05-4
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  72652-32-5 = 934-05-4
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  标题:Preparation Of Pyrrolopyridazine Jak3 Inhibitors And Their Use For The Treatment Of Inflammatory And Autoimmune Diseases
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  2199-43-1 = 934-05-4
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  72652-32-5 = 934-05-4
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  标题:Synthesis And Reactions Of 3,3'-Dibromodihydrodipyrrins
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  1193-62-0 = 934-05-4 + 937-16-6 + 934-07-6
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  参考文献:Tetrahedron 日期:2011 卷标:67(22) 页码:4048-4054]
  
  1193-62-0 = 934-05-4 + 937-16-6
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  标题:Synthesis Of 1-Aroylmethylpyrroles As Useful Intermediates For Further Chemical Transformation
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  标题:Electrophilic Substitution On 2-Trichloroacetylpyrrole
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  参考文献:Journal Of Pharmaceutical Sciences 日期:1977 卷标:66(7) 页码:1052-4]
  
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  标题:Vanadate(V)-Dependent Bromoperoxidase Immobilized On Magnetic Beads As Reusable Catalyst For Oxidative Bromination
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海关参考信息

• 2912110000-甲醛
  2915110000-甲酸
  2909199090-其他醚及其衍生物
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• ➥ 防范代码详解
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