3-Methyl-4-Nitro-1-(4-Nitrophenyl)-1H-Pyrazol-5(4H)-One 3-甲基-4-硝基-1-(4-硝基苯基)-1H-吡唑-5(4H)-酮

CAS 550-74-3 MFCD00003133

化学结构图

550-74-3
SMILES: CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1[N+](=O)[O-]

化学属性

Mol. FormulaC10H8N4O5
Mol. Weight264.19
Melting Point119 °C
TSCAYes
Density1.65
Stability对湿度敏感
Boiling Point548.8±50.0 °C at 760 mmHg

别名和识别编码

Chemical Name3-Methyl-4-Nitro-1-(4-Nitrophenyl)-1H-Pyrazol-5(4H)-One
MDL NumberMFCD00003133
CAS Number550-74-3
Synonym Picrolonic acid {LY} Picrolonic acid {} {LY} Picrolonic acid {} {} {LY} Picrolonic acid {} {} {} {LY} Picrolonic acid {} {} {} {} {LY} Picrolonic acid {} {} {} {} {} {LY} Picrolonic acid {} {} {} {} {} {} {LY} Picrolonic acid {} {} {} {} {} {} {} {LY} Picrolonic acid {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Picrolonic acid {} {} {} {} {} {} {} {} {} {LY} Picrolonic acid {} {} {} {} {} {} {} {} {} {} {LY} Picrolonic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Picrolonic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Picrolonic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Picrolonic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Picrolonic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Picrolonic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Picrolonic acid
EC Number208-986-6
Merck Number7412
Beilstein Registry Number623723
Reaxys-RN623723
Chemical Name Translation3-甲基-4-硝基-1-(4-硝基苯基)-1H-吡唑-5(4H)-酮
Wiswesser Line NotationT5NNVJ BR DNW& DNW E1
LabNetwork Molecule IDLN04681448
PubChem Substance ID68369
InChIInChI=1S/C10H8N4O5/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h2-5,9H,1H3
Canonical SMILESCC1=C(C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])N1)[N+](=O)[O-]
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分类

  • {SNA} Amines, Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Nitroso Compounds, Organic Building Blocks, Organic Nitrates/Nitrites

产品应用

  • 检测铵、钙、铜、汞、钾、钠和锶，测定钡、铅、镁和钍。和种生物碱、色氨酸、苯丙氨酸等的试剂。

相关文献及参考

  • Reagent for the estimation of Ca, Mg, Pb, Sr and Th.
  • Merck:14,7412 Beilstein:24(2)25
  • Reagent for the isolation of amines as crystalline π-complexes.
  • Merck:14,7412

安全信息

RTECSUQ9510000
Safety Statements
Risk Statements
UN Number
Signal word
Precautionary statements
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P220 Keep/Store away from clothing/…/combustible materials. 保持远离/贮存远离服装/....../可燃材料。
  • P332+P313
  • P420 Store away from other materials. 远离其他材料。
  • P305+P351+P338+P337+P313
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P302+P350
  • P337+P313
  • P234 Keep only in original container. 只保留在原来的容器中。
Hazard statements
  • H242 Heating may cause a fire 加热可能会引起火灾
GHS Symbol
Hazard Codes
Storage condition Refrigerator (+4°C) 密封保存。
Hazard Class4.1 
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,23,1953

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 25 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 28,127,1975

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 54,101,1978

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Mold - Aspergillus nidulans
DOSE/DURATION           : 250 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 97,293,1982

其他信息

  • 125℃时分解。其水溶液对石蕊试纸呈酸性反应，能形成不溶性的钙盐、铜盐及铅盐等。溶于醇，微溶于水。有刺激性。
  • Sigma Aldrich:550-74-3(sigmaaldrich)
  • MOL 文件:550-74-3.mol
  • 图谱信息:苦酮酸(550-74-3)红外图谱(IR2) 苦酮酸(550-74-3)红外图谱(IR1) 苦酮酸(550-74-3)质谱(MS)
  • 苦酮酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30148524 苦酮酸;4-硝基-3-甲基对硝基苯基-5-吡唑啉酮; 3-甲基-4-硝基-1-(对硝基苯)-2-吡唑啉-5-酮; 1-(对硝基苯)-3-甲基-4-硝基-5-吡唑啉酮 25g 77元 2011/04/16 P0429 苦酮酸 Picrolonic Acid 1G 400元 2011/04/16 P0429 苦酮酸 Picrolonic Acid 25G 3700元
  • Alfa Aesar:苦酮酸,98+% Picrolonic acid, 98+%(550-74-3)
  • 外观性质:黄色小叶片状结晶。125℃时分解。其水溶液对石蕊试纸呈酸性反应，能形成不溶性的钙盐、铜盐及铅盐等。溶于醇，微溶于水。有刺激性。熔点：116-117℃.
  • 用途一:检测铵、钙、铜、汞、钾、钠和锶，测定钡、铅、镁和钍。和种生物碱、色氨酸、苯丙氨酸等的试剂。

系列性分类

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