4-Nitroimidazole 4-硝基咪唑

CAS 3034-38-6 MFCD00005196

化学结构图

3034-38-6
SMILES: O=[N+]([O-])c1cnc[nH]1

化学属性

Mol. FormulaC3H3N3O2
Mol. Weight113.07
Density1.552
Melting Point303°C
Flash Point200°C
TSCAYes
Appearance 白色结晶性粉末。熔点 302-308℃。
Boiling Point404.8°C at 760 mmHg

别名和识别编码

Chemical Name4-Nitroimidazole
CAS Number3034-38-6
Alfabeta NameNITROIMIDAZOLE 4-
MDL NumberMFCD00005196
EC Number221-224-7
Beilstein Registry Number2815
PubChem Substance ID18208
Synonym 4-Nitroimidazole {LY} 4-Nitroimidazole {} {LY} 4-Nitroimidazole {} {} {LY} 4-Nitroimidazole {} {} {} {LY} 4-Nitroimidazole {} {} {} {} {LY} 4-Nitroimidazole {} {} {} {} {} {LY} 4-Nitroimidazole {} {} {} {} {} {} {LY} 4-Nitroimidazole {} {} {} {} {} {} {} {LY} 4-Nitroimidazole {} {} {} {} {} {} {} {} {LY} 4-Nitroimidazole {} {} {} {} {} {} {} {} {} {LY} 4-Nitroimidazole {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitroimidazole {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitroimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitroimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitroimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitroimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitroimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Reaxys-RN2815
Chemical Name Translation4-硝基咪唑
Wiswesser Line NotationT5M CNJ DNW
LabNetwork Molecule IDLN00007657
InChIInChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)
Canonical SMILESO=[N+](C1=CN=CN1)[O-]
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分类

  • {SNA} Building Blocks, C3 to C8, Chemical Synthesis, Heterocyclic Building Blocks, Imidazoles

产品应用

  • 抗原虫药罗硝唑的中间体。

相关文献及参考

  • For a study of temperature effects on regioselective alkylation, see: J. Chem. Soc., Perkin 1, 2399 (1994).
  • Beilstein:23,50

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
  • S36/37/39 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;
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
  • R22 Harmful if swallowed 吞咽有害
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
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。
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P302+P352+P332+P313+P362+P364
  • P301+P312+P330
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P302+P350
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H332 Harmful if inhaled 吸入有害
  • H315 Causes skin irritation 会刺激皮肤
  • H312 Harmful in contact with skin 皮肤接触有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSNI7892000
Hazard Codes Xn
Packing GroupIII
Hazard Class6.1(b)
UN Number 2811
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - other changes
   Blood - hemorrhage
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   89,175,1987

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 6 mmol/L
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   59,247,1986

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Klebsiella pneumoniae
DOSE/DURATION           : 500 umol/L/20H
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 66,207,1979

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • 海关编码:29332990
  • Acros Organics:4-硝基咪唑 4-Nitroimidazole, 98%(3034-38-6)
  • 检测方法:HPLC,NMR
  • 下游产品:1-甲基-5-硝基咪唑
  • MSDS 信息:4-Nitro-1H-imidazole(3034-38-6).msds
  • 方法一:用咪唑以混酸硝化制得。
  • 上游原料:咪唑
  • Alfa Aesar:4-硝基咪唑,97% 4-Nitroimidazole, 97%(3034-38-6)
  • 用途一:抗原虫药罗硝唑的中间体。
  • Decomposition:303 °C
  • 4-硝基咪唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010397 4-硝基咪唑;4-硝基甘啉 25g 168元 2011/04/16 N0506 4-硝基咪唑 4-Nitroimidazole 25G 317元 2011/04/16 N0506 4-硝基咪唑 4-Nitroimidazole 500G 2400元
  • MOL 文件:3034-38-6.mol
  • TCI Shanghai:4-硝基咪唑 4-Nitroimidazole(3034-38-6)
  • Sigma Aldrich:3034-38-6(sigmaaldrich)

系列性分类


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