3-(1H-Imidazol-4-yl)acrylic acid 3-(1H-咪唑-4-基)丙烯酸

CAS 104-98-3 MFCD00005203

化学结构图

104-98-3
SMILES: O=C(O)C=Cc1cnc[nH]1

化学属性

Mol. FormulaC6H6N2O2
Mol. Weight138.12
Melting Point226-228°C
Solubility略溶于水
Boiling Point456.9°C at 760 mmHg

别名和识别编码

Chemical Name3-(1H-Imidazol-4-yl)acrylic acid
Synonym Urocanic acid {LY} Urocanic acid {} {LY} Urocanic acid {} {} {LY} Urocanic acid {} {} {} {LY} Urocanic acid {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD01593677
PubChem Substance ID736715
Beilstein Registry Number81405
CAS Number104-98-3
EC Number203-258-4
Chemical Name Translation3-(1H-咪唑-4-基)丙烯酸
Reaxys-RN81403
InChIKeyLOIYMIARKYCTBW-UHFFFAOYSA-N
Wiswesser Line NotationT5M CNJ D1U1VQ
LabNetwork Molecule IDLN02219919
InChIInChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
Canonical SMILESO=C(O)/C=C/C1=CN=CN1
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分类

  • {SNA} Building Blocks, C3 to C8, Chemical Synthesis, D to K,
  • Biochemicals and Reagents, Building Blocks, Chemical Synthesis, D to K, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates, Heterocyclic Building Blocks, Histidine ammonia-lyase and decarboxylase, Imidazoles
  • {SNA} Biochemicals and Reagents, Building Blocks, C3 to C8, Chemical Synthesis, D to K, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates, Heterocyclic Building Blocks, Histidine ammonia-lyase and decarboxylase, Imidazoles
  • {SNA} Building Blocks,

相关文献及参考

  • Aldrich MSDS 1 , 1826:D / Corp MSDS 1 (2), 3582:A / FT-IR 2 (3), 3518:A / FT-IR 1 (2), 621:A / IR-Spectra (3), 1221:G / IR-Spectra (2), 1063:F / NMR-Reference 2 (2), 492:A / RegBook 1 (2), 2361:G / Sigma FT-IR 1 (2), 970:A / Structure Index 1 , 374:B:2
  • Beil. 25 ,IV,786
  • [1]. Gibbs NK, et al. Recent advances in urocanic acid photochemistry, photobiology and photoimmunology. Photochem Photobiol Sci. 2008 Jun;7(6):655-67.

安全信息

WGK Germany3
RTECSNI3425200
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- ,  Berdy, J., Boca
   Raton, FL, CRC Press, 1980-  Volume(issue)/page/year: 5,81,1981

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Cells - not otherwise specified
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   JIDEAE Journal of Investigative Dermatology.  (Williams & Wilkins Co., 428
   E. Preston St., Baltimore, MD 21202)  V.1-    1938- Volume(issue)/page/year:
   65,400,1975

其他信息

  • 海关编码:29332990
  • Sigma Aldrich:104-98-3(sigmaaldrich)
  • MSDS 信息:3-(4-Imidazolyl)acrylic acid(104-98-3).msds
  • 尿刊酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0002 尿刊酸 Urocanic Acid 5G 467元 2010/06/21 228960050 尿刊酸 Urocanic acid 99% 5 GR 365元 2010/06/21 228961000 尿刊酸 Urocanic acid 99% 100 GR 4670元
  • MOL 文件:104-98-3.mol
  • 上游原料:盐酸 --> 碳酸钠 --> 氢氧化铵 --> 苯 --> 吡啶 --> 甲醛 --> 异丙醇 --> 二氧化锰 --> 六氢吡啶 --> 丙二酸 --> 硫酸铜 --> 氢硫酸 --> 苦味酸 --> D-(-)-果糖
  • Acros Organics:尿刊酸 Urocanic acid, 99%(104-98-3)
  • TCI Shanghai:尿刊酸 Urocanic Acid,>;98.0%(LC)(T)(104-98-3)

系列性分类


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