1H-Imidazole-4,5-dicarboxylic acid 咪唑-4,5-二羧酸

CAS 570-22-9 MFCD00005200

化学结构图

570-22-9
SMILES: O=C(O)c1nc[nH]c1C(=O)O

化学属性

Mol. FormulaC5H4N2O4
Mol. Weight156.10
Density1.749
Melting Point280-285°C
TSCAYes
Appearance 白色结晶性粉末。熔点约280℃（分解为咪唑和二氧化碳）。溶于氨或碱溶液，不溶于水、乙醇、乙醚。
Boiling Point280.29 °C at 760 mmHg

别名和识别编码

Chemical Name1H-Imidazole-4,5-dicarboxylic acid
CAS Number570-22-9
EC Number209-327-5
Beilstein Registry Number147774
MDL NumberMFCD00005200
PubChem Substance ID68442
Synonym 1H-Imidazole-4,5-dicarboxylic acid {LY} 1H-Imidazole-4,5-dicarboxylic acid {} {LY} 1H-Imidazole-4,5-dicarboxylic acid {} {} {LY} 1H-Imidazole-4,5-dicarboxylic acid {} {} {} {LY} 1H-Imidazole-4,5-dicarboxylic acid {} {} {} {} {LY} 1H-Imidazole-4,5-dicarboxylic acid {} {} {} {} {} {LY} 1H-Imidazole-4,5-dicarboxylic acid {} {} {} {} {} {} {LY} 1H-Imidazole-4,5-dicarboxylic acid {} {} {} {} {} {} {} {LY} 1H-Imidazole-4,5-dicarboxylic acid {} {} {} {} {} {} {} {} {LY} 1H-Imidazole-4,5-dicarboxylic acid {} {} {} {} {} {} {} {} {} {LY} 1H-Imidazole-4,5-dicarboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 1H-Imidazole-4,5-dicarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Imidazole-4,5-dicarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Imidazole-4,5-dicarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Imidazole-4,5-dicarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Imidazole-4,5-dicarboxy
Chemical Name Translation咪唑-4,5-二羧酸
Reaxys-RN147774
Wiswesser Line NotationT5M CNJ DVQ EVQ
InChIKeyZEVWQFWTGHFIDH-UHFFFAOYSA-N
LabNetwork Molecule IDLN00008999
InChIInChI=1S/C5H4N2O4/c8-4(9)2-3(5(10)11)7-1-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)
Canonical SMILESO=C(C1=C(C(O)=O)NC=N1)O
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分类

  • {SNA} Alcohols, Monomers, Polymer Science, 材料科学
  • {SNA} Alcohols, Materials Science, Monomers, Polymer Science

产品应用

  • An imidazole used for research purposes

相关文献及参考

  • Beilstein:25(2)159

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
RTECSNI4760000
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RPTOAN Russian Pharmacology and Toxicology (English Translation).
   Translation of FATOAO.  (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey,
   UK)  V.30-    1967-  Volume(issue)/page/year: 41,249,1978

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 海关编码:29332990
  • 用途三:用于合成头孢咪唑（Cefpimizole）和Antifein及Norantifein等。
  • 用途二:用于生产咪唑。
  • 用途一:主要用于合成头孢咪唑等原料药
  • Alfa Aesar:咪唑-4，5-二羧酸,97% 4,5-Imidazoledicarboxylic acid, 97%(570-22-9)
  • MOL 文件:570-22-9.mol
  • TCI Shanghai:1H-咪唑-4,5-二羧酸 1H-Imidazole-4,5-dicarboxylic Acid,>;96.0%(T)(570-22-9)
  • 下游产品:咪唑 --> 4-咪唑甲醛 --> 1H-咪唑-4-甲酸
  • 约280℃分解为咪唑和二氧化碳。溶于氨或碱溶液，不溶于水，水中溶解度: 0.5 g/L (20°C) ，不溶于乙醇和乙醚。
  • Sigma Aldrich:570-22-9(sigmaaldrich)
  • 方法一:由邻苯二胺经环合、开环而得。将邻苯二胺加入甲酸中，搅拌加热，在95-98℃保温2h。降温至50-60℃，用10%氢氧化钠溶液调节至pH=10，降至室温，过滤，水洗，干燥，得苯骈咪唑。在搅拌下将苯并咪唑投入浓酸中，升温至100℃，慢慢滴加双氧水，加毕，在140-150℃搅拌反应1h，降温至40℃，加水稀释，析出结晶，过滤，水洗，干燥，得4,5-羧基咪唑。
  • 图谱信息:咪唑-4,5-二羧酸(570-22-9)红外图谱(IR1) 咪唑-4,5-二羧酸(570-22-9)红外图谱(IR2) 咪唑-4,5-二羧酸(570-22-9)质谱(MS)
  • Acros Organics:4,5-咪唑二羧酸 4,5-Imidazoledicarboxylic acid, 99%(570-22-9)
  • 咪唑-4,5-二羧酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010232 咪唑-4,5-二羧酸 5g 180元 2011/04/16 I0003 1H-咪唑-4,5-二羧酸 1H-Imidazole-4,5-dicarboxylic Acid 5G 505元 2011/04/16 I0003 1H-咪唑-4,5-二羧酸 1H-Imidazole-4,5-dicarboxylic Acid 25G 1300元
  • MSDS 信息:4,5-Imidazoledicarboxylic acid(570-22-9).msds
  • 上游原料:过氧化氢 --> 原甲酸三乙酯 --> 1,2-苯二胺 --> 苯甲醚 --> 2,3-二氨基-2-丁烯二腈 --> 苯并咪唑 --> 苯骈咪唑

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Homopiperidines 同哌啶
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Imidazoles 咪唑
  1. Materials Science 材料科学
  2. Products for Polymer Science Research
  3. Monomers - Polymer Science
  4. Alcohols - Monomers
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Heterocyclic Acids 杂环酸
  5. Imidazole Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Monomers
  4. Acrylic Monomers 丙烯酸单体
  5. Polyfunctional Acrylics

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