2-Methyl-4-Nitroimidazole 2-甲基-4-硝基咪唑

CAS 696-23-1 MFCD00005191

化学结构图

696-23-1
SMILES: Cc1ncc([N+](=O)[O-])[nH]1

化学属性

Mol. FormulaC4H5N3O2
Mol. Weight127.10
Melting Point251-255°C
TSCAYes
Boiling Point339°C at 760 mmHg
Flash Point199°C

别名和识别编码

Chemical Name2-Methyl-4-Nitroimidazole
MDL NumberMFCD00151322
CAS Number696-23-1
EC Number211-790-3
Beilstein Registry Number23(1)23
Synonym 2-Methyl-5-nitroimidazole {LY} 2-Methyl-5-nitroimidazole {} {LY} 2-Methyl-5-nitroimidazole {} {} {LY} 2-Methyl-5-nitroimidazole {} {} {} {LY} 2-Methyl-5-nitroimidazole {} {} {} {} {LY} 2-Methyl-5-nitroimidazole {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitroimidazole {} {} {} {} {} {} {LY} 2-Methyl-5-nitroimidazole {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitroimidazole {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitroimidazole {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitroimidazole {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitroimidazole {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitroimidazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitroimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitroimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitroimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitro
Alfabeta NameMETHYLNITROIMIDAZOLE H241-----
Reaxys-RN4032
PubChem Substance ID12760
Chemical Name Translation2-甲基-4-硝基咪唑
Wiswesser Line NotationT5M CNJ B1 ENW
LabNetwork Molecule IDLN00178048
InChIInChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
Canonical SMILESO=[N+](C1=CN=C(C)N1)[O-]
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分类

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

相关文献及参考

  • Effect of temperature on regioselective N-alkylation: J. Chem. Soc., Perkin 1, 2399 (1994).

安全信息

RTECSNI7550000
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
Warnings IRRITANT
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H302 Harmful if swallowed 吞食有害
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。
  • P302+P352+P332+P313+P362+P364
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P305+P351+P338
WGK Germany3
GHS Symbol 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Klebsiella pneumoniae
DOSE/DURATION           : 5 mmol/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

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 5 mmol/L
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

Hazard Codes Xn
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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

  • 用途一:甲硝羟乙唑（灭滴灵）的中间体。
  • 上游原料:2-甲基咪唑
  • 方法一:用2-甲基咪唑以混酸硝化制得。
  • 2-甲基-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 2014/06/02 M0922 2-甲基-4(5)-硝基咪唑 2-Methyl-4(5)-nitroimidazole 500G 1810元 2014/06/02 M0922 2-甲基-4(5)-硝基咪唑 2-Methyl-4(5)-nitroimidazole 25G 246元 2010/05/25 A12569 2-甲基-4(5)硝基咪唑, 99% 2-Methyl-4(5)-nitroimidazole, 99% 250g 1088元
  • Sigma Aldrich:696-23-1(sigmaaldrich)
  • MOL 文件:696-23-1.mol
  • TCI Shanghai:2-甲基-4(5)-硝基咪唑 2-Methyl-4(5)-nitroimidazole,>;99.0%(T)(696-23-1)
  • 图谱信息:2-甲基-4-硝基咪唑(696-23-1)质谱(MS) 2-甲基-4-硝基咪唑(696-23-1)红外图谱(IR2) 2-甲基-4-硝基咪唑(696-23-1)核磁图( 13 CNMR) 2-甲基-4-硝基咪唑(696-23-1)红外图谱(IR1) 2-甲基-4-硝基咪唑(696-23-1)核磁图( 1 HNMR)
  • Alfa Aesar:2-甲基-4(5)硝基咪唑,99% 2-Methyl-4(5)-nitroimidazole, 99%(696-23-1)

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

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