2-Methyl-5-Nitro-1H-Imidazole 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-5-Nitro-1H-Imidazole
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-nitroimidazole {} {} {} {}
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


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