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-dicarboxylic acid {} {} {} {} {} {} {} {} {}
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


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