2-Nitroimidazole 2-硝基咪唑

CAS 527-73-1 MFCD00005185

化学结构图

527-73-1
SMILES: O=[N+]([O-])c1ncc[nH]1

化学属性

Mol. FormulaC3H3N3O2
Mol. Weight113.07
Melting Point287°C
Density1.422
TSCAYes
Appearance 淡黄色结晶。熔点283℃(分解)。溶于甲醇、乙醇、丙酮、乙酸乙酯,不溶于乙醚、氯仿。
Solubilityinsoluble
Boiling Point211.75 °C at 760 mmHg

别名和识别编码

Chemical Name2-Nitroimidazole
CAS Number527-73-1
Alfabeta NameNITROIMIDAZOLE H21---
MDL NumberMFCD00005185
EC Number208-425-5
Beilstein Registry Number116444
Synonym Azomycin {LY} Azomycin {} {LY} Azomycin {} {} {LY} Azomycin {} {} {} {LY} Azomycin {} {} {} {} {LY} Azomycin {} {} {} {} {} {LY} Azomycin {} {} {} {} {} {} {LY} Azomycin {} {} {} {} {} {} {} {LY} Azomycin {} {} {} {} {} {} {} {} {LY} Azomycin {} {} {} {} {} {} {} {} {} {LY} Azomycin {} {} {} {} {} {} {} {} {} {} {LY} Azomycin {} {} {} {} {} {} {} {} {} {} {} {LY} Azomycin {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azomycin {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azomycin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azomycin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azomycin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azomycin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azomycin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azomycin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azomycin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID10701
Merck Number921
Chemical Name Translation2-硝基咪唑
Reaxys-RN116444
Wiswesser Line NotationT5M CNJ BNW
LabNetwork Molecule IDLN00165906
InChIInChI=1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)
Canonical SMILESO=[N+]([O-])C1=NC=CN1
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分类

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

产品应用

  • 用于制备硝基咪唑取代的硼酸,从而作为缺氧组织成像前体。还用于制备富含雌激素受体的肿瘤的可用位点选择性放射增敏剂。

安全信息

Warnings TOXIC
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • 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 Wear suitable protective clothing 穿戴适当的防护服;
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
  • R25 Toxic if swallowed 吞咽有毒
  • R22 Harmful if swallowed 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。
  • P301+P310+P330
  • 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
  • P405 Store locked up. 上锁保管。
  • P305+P351+P338+P337+P313
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • 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
  • H301 Toxic if swallowed 吞食有毒
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
RTECSNI7875000
Packing GroupIII
UN Number UN 2811 6.1/PG 3
Hazard Codes Xn
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 316 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AACHAX Antimicrobial Agents and Chemotherapy (1961-70).  (Ann Arbor, MI)
   1961-70.  For publisher information, see AMACCQ.  Volume(issue)/page/year:
   -,478,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 80 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAJAAA Journal of Antibiotics, Series A.  (Tokyo, Japan)  V.6-20, 1953-67.
   For publisher information, see JANTAJ.  Volume(issue)/page/year: 9,168,1956

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 316 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AACHAX Antimicrobial Agents and Chemotherapy (1961-70).  (Ann Arbor, MI)
   1961-70.  For publisher information, see AMACCQ.  Volume(issue)/page/year:
   -,478,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 80 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAJAAA Journal of Antibiotics, Series A.  (Tokyo, Japan)  V.6-20, 1953-67.
   For publisher information, see JANTAJ.  Volume(issue)/page/year: 6,182,1953

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   JGAMA9 Journal of General and Applied Microbiology.  (Microbiology Research
   Foundation, c/o Japan Academic Soc. Center Bldg., 2-4-16 Yayoi, Bunkyo-ku,
   Tokyo, 113, Japan)  V.1-    1955-  Volume(issue)/page/year: 11,129,1965

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 umol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 58,1,1978

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 用途二:肿瘤放疗增敏剂米索硝唑(Misonidazole)的中间体。
  • 海关编码:29332990
  • Sigma Aldrich:527-73-1(sigmaaldrich)
  • 上游原料:乙醇 --> 乙酸乙酯 --> 乙醚 --> 石油醚 --> 硝酸 --> 亚硝酸钠 --> 硫酸钠 --> 氟硼酸 --> 硫酸铜五水合物 --> 氨基乙醛缩二乙醇 --> 2-氨基咪唑硫酸盐 --> 乙基胍 --> 2-氨基咪唑
  • 图谱信息:2-硝基咪唑(527-73-1)核磁图( 13 CNMR) 2-硝基咪唑(527-73-1)红外图谱(IR1) 2-硝基咪唑(527-73-1)红外图谱(IR2) 2-硝基咪唑(527-73-1)核磁图( 1 HNMR) 2-硝基咪唑(527-73-1)质谱(MS)
  • 2-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 2010/06/21 187572500 2-硝基咪唑 2-Nitroimidazole 98% 250 MG 1199元 2010/06/21 187570010 2-硝基咪唑 2-Nitroimidazole 98% 1 GR 3453元 2010/05/25 L13546 2-硝基咪唑, 98% 2-Nitroimidazole, 98% 500mg 1456元
  • 用途一:用作有机合成中间体
  • MOL 文件:527-73-1.mol
  • 检测方法:HOLC
  • 方法一:将氨基乙缩醛S-甲基异硫及水混匀,搅拌加热,减压蒸干,残留物加甲醇溶解,然后滴加丙酮,得白色结晶N-(2,2-二乙氧基乙基)胍硫酸盐,收率84.4%。取N-(2,2-二乙氧基乙基)胍硫酸盐和浓盐酸混合,搅拌加热回流,反应毕,加蒸馏水减压蒸干,再加水蒸干,残留物用无水乙醇溶解,然后滴加无水乙醚,得白色固体2-氨基咪唑,收率64.5%。2-氨基咪唑,加入氟硼酸及水,冷至-15℃以下,搅拌下滴加硝酸钠和水配成的溶液。加毕,继续搅拌。将反应生成的棕绿色溶液倒入五水合硫酸铜溶液中,边加边搅,再加入亚硝酸钠继续搅拌,反应毕,加浓盐酸调pH至2,用乙酸酯提取,提取液经无水硫酸钠干燥后回收乙酸乙酯至尽,残留物用乙醇重结晶,得2-硝基咪唑。
  • MSDS 信息:Azomycin(527-73-1).msds
  • Acros Organics:2-硝基咪唑 2-Nitroimidazole, 98%(527-73-1)
  • Alfa Aesar:2-硝基咪唑,98% 2-Nitroimidazole, 98%(527-73-1)

系列性分类


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