2-Hydroxy-benzimidazol 2(1H)-苯并咪唑啉酮

CAS 615-16-7 MFCD00127894

化学结构图

615-16-7
SMILES: O=c1[nH]c2ccccc2[nH]1

化学属性

Mol. FormulaC7H6N2O
Mol. Weight134.14
Density1.422
Melting Point>300°C
TSCAYes
Solubility不溶
Boiling Point247.23 °C at 760 mmHg

别名和识别编码

Chemical Name2-Hydroxy-benzimidazol
CAS Number615-16-7
Alfabeta NameHYDROXYBENZIMIDAZOLE 2-
MDL NumberMFCD00127894
Synonym 2-Hydroxybenzimidazole {LY} 2-Hydroxybenzimidazole {} {LY} 2-Hydroxybenzimidazole {} {} {LY} 2-Hydroxybenzimidazole {} {} {} {LY} 2-Hydroxybenzimidazole {} {} {} {} {LY} 2-Hydroxybenzimidazole {} {} {} {} {} {LY} 2-Hydroxybenzimidazole {} {} {} {} {} {} {LY} 2-Hydroxybenzimidazole {} {} {} {} {} {} {} {LY} 2-Hydroxybenzimidazole {} {} {} {} {} {} {} {} {LY} 2-Hydroxybenzimidazole {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxybenzimidazole {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxybenzimidazole {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxybenzimidazole {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxybenzimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxybenzimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxybenzimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxybenzimidazole {} {} {} {} {} {} {} {} {
EC Number210-412-4
Beilstein Registry Number119866
PubChem Substance ID11985
Reaxys-RN637113
Chemical Name Translation2(1H)-苯并咪唑啉酮
Wiswesser Line NotationT56 BNVNJ
LabNetwork Molecule IDLN00008097
InChIInChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
Canonical SMILESO=C1NC2=CC=CC=C2N1
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分类

  • {SNA} Benzimidazoles, Bioactive Small Molecules, Building Blocks, Cell Biology, Chemical Synthesis, H, Heterocyclic Building Blocks
  • {SNA} Benzimidazoles, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks
  • Pharmaceuticals
  • {SNA} Benzimidazoles, Bioactive Small Molecules, Building Blocks, Chemical Synthesis, H, Heterocyclic Building Blocks, 细胞生物学
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; urea; 1fragment
  • Intermediates & Fine Chemicals,
  • Metabolites & Impurities

产品应用

  • A metabolite of the neuroleptic Droperidol (D679500).

相关文献及参考

  • Chen, Y., et al.: Int. J. Pharm., 137, 149 (1996)
  • Short: III/39 Title: Nuclear Quadrupole Resonance Spectroscopy Data Author: Chihara, H.; Nakamura, N. Editor: Chihara, H. Source: Landolt-Börnstein, New Series Volume: III/39 Year: 1997 Keyword: NQR; spectroscopy ISBN: 3-540-62428-7 ISBN: 978-3-540-62428-8 Internet Resource: DOI:10.1007/b61951 RefComment: VIII, 424 pages. Hardcover Abstract: Volume III/39 continues the compilation of nuclear quadrupole resonance spectroscopy data of solid substances which started in with volumes III/20 and III/31. The literature from the beginning of nuclear quadrupole resonance spectroscopy in 1951 to 1996 is covered. In total there are more than 10.000 substances in the volumes, showing the scope and significance of nuclear quadrupole resonance spectroscopy up to recent times. Volume III/39 can be consulted without recourse to its predecessor because the complete introduction and general tables are repeated from III/20 and III/31.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany1
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/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
Precautionary statements
  • 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
RTECSDE1625000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 620 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 8,42,1958

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

  • MOL 文件:615-16-7.mol
  • Alfa Aesar:2-羟基苯并咪唑,98% 2-Hydroxybenzimidazole, 98%(615-16-7)
  • 图谱信息:2-羟基苯并咪唑(615-16-7)核磁图( 13 CNMR) 2-羟基苯并咪唑(615-16-7)质谱(MS) 2-羟基苯并咪唑(615-16-7)核磁图( 1 HNMR) 2-羟基苯并咪唑(615-16-7)红外图谱(IR2) 2-羟基苯并咪唑(615-16-7)红外图谱(IR1)
  • 2-羟基苯并咪唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 H0739 2-羟基苯并咪唑 2-Hydroxybenzimidazole 25G 764元 2010/06/21 120970250 2-羟基苯并咪唑 2-Hydroxybenzimidazole 97% 25 GR 923元 2010/06/21 120971000 2-羟基苯并咪唑 2-Hydroxybenzimidazole 97% 100 GR 2429元
  • Hazard Note:Irritant
  • 2-羟基苯并咪唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0739 2-羟基苯并咪唑 2-Hydroxybenzimidazole 25G 701元 2010/06/21 120970250 2-羟基苯并咪唑 2-Hydroxybenzimidazole 97% 25 GR 923元 2010/06/21 120971000 2-羟基苯并咪唑 2-Hydroxybenzimidazole 97% 100 GR 2429元
  • 海关编码:29339990
  • TCI Shanghai:2-羟基苯并咪唑 2-Hydroxybenzimidazole,>;98.0%(T)(615-16-7)
  • MSDS 信息:2-Hydroxybenzimidazole(615-16-7).msds
  • 检测方法:HPLC,NMR
  • Sigma Aldrich:615-16-7(sigmaaldrich)
  • Acros Organics:2-羟基苯并咪唑 2-Hydroxybenzimidazole, 97%(615-16-7)

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. Acridines
  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. Benzimidazoles 苯并咪唑
  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. Benzimidazoles 苯并咪唑
  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