5-Nitroisatin 5-硝基靛红

CAS 611-09-6 MFCD00005720

化学结构图

611-09-6
SMILES: O=C1Nc2ccc([N+](=O)[O-])cc2C1=O

化学属性

Mol. FormulaC8H4N2O4
Mol. Weight192.13
Melting Point68°C
TSCANo
Boiling Point244.2±35.0°C at 760 mmHg

别名和识别编码

Chemical Name5-Nitroisatin
CAS Number611-09-6
Alfabeta NameNITROINDOLEDIONE H5123-----,
MDL NumberMFCD00005720
Synonym 5-Nitroindoline-2,3-dione {LY} 5-Nitroindoline-2,3-dione {} {LY} 5-Nitroindoline-2,3-dione {} {} {LY} 5-Nitroindoline-2,3-dione {} {} {} {LY} 5-Nitroindoline-2,3-dione {} {} {} {} {LY} 5-Nitroindoline-2,3-dione {} {} {} {} {} {LY} 5-Nitroindoline-2,3-dione {} {} {} {} {} {} {LY} 5-Nitroindoline-2,3-dione {} {} {} {} {} {} {} {LY} 5-Nitroindoline-2,3-dione {} {} {} {} {} {} {} {} {LY} 5-Nitroindoline-2,3-dione {} {} {} {} {} {} {} {} {} {LY} 5-Nitroindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitroindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitroindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitroindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitroindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitroindoline-2,3-dione
PubChem Substance ID4669250
EC Number210-252-5
Beilstein Registry Number180223
Chemical Name Translation5-硝基靛红
Reaxys-RN180223
Wiswesser Line NotationT56 BMVVJ GNW
LabNetwork Molecule IDLN00133381
InChIInChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)
Canonical SMILESO=C1NC2=C(C=C([N+]([O-])=O)C=C2)C1=O
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分类

  • {SNA} Building Blocks, C7 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Indoles
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; amide; ketone; lactame; 1fragment
  • Building Blocks, C7 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Indoles

产品应用

  • Reactant for preparation of:
  • Potential antibacterial and antifungal agents;
  • spiro[indole-thiazolidi?nones] as a medicinally important scaffold;
  • Potential antimycobacterial agents;
  • Anticonvulsant agents;
  • Inhibitors of human transglutaminase 2;
  • Anthelmintic agents;
  • Anti-human immunodeficiency virus (HIV) agents;
  • Antimicrobial agents;
  • Potential antitubercular agents;
  • Inhibitors of acetylcholinesterase.

相关文献及参考

  • Short: III/31a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cu Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/31a Year: 1993 Keyword: NQR ISBN: 3-540-55146-8 ISBN: 978-3-540-55146-1 Internet Resource: DOI:10.1007/b43999 RefComment: VIII, 437 pages. Hardcover Abstract: Volume III/31 continues the compilation of nuclear quadrupole resonance spectroscopy data of solid substances which started in with volume III/20 in 1987 covering the literature from the beginning of nuclear quadrupole resonance spectroscopy in 1951 to 1982 and containing the data for 8000 substances in the solid state, distributed among three subvolumes III/20 a, b, and c. Volume III/31 covers the literature published in the period from the end of 1982
  • 4. Praveen, C.; et al. Bioorg. Med. Chem. Lett. 21 , 4072, (2011)
  • Beil. 21 ,456
  • 8. Bhardwaj, S.; et al. J. Pharm. Res. 3 , 2983, (2010)
  • 1. Ozil, M.; et al. J. Chem. Res. (M) 35 , 268, (2011)
  • 6. Suresh, C. H.; et al. Int. Res. J. Pharm. 2 , 257, (2011)
  • FT-IR 2 (2), 3054:C / FT-IR 1 (2), 395:A / FT-NMR 1 (2), 1440:B / IR-Spectra (3), 1094:C / IR-Spectra (2), 955:E / NMR-Reference 2 (2), 374:A / RegBook 1 (2), 2059:D / Sax 6 , 2029 / Structure Index 1 , 327:A:5
  • 9. Prasanna, P.; et al. Eur. J. Med. Chem. 45 , 5653, (2010)
  • 3. Aboul-Fadl, T.; et al. Molecules 16 , 5194, (2011) 摘要
  • 2. Dandia, A.; et al. Green Chem. 13 , 1852, (2011)
  • 7. Kumari, G.; et al. Eur. J. Med. Chem. 46 , 1181, (2011)
  • 10. Ali, M. A.; et al. Bioorg. Med. Chem. Lett. 20 , 7064, (2010)
  • 5. Kloeck, C.; et al. Bioorg. Med. Chem. Lett. 21 , 2692, (2011)

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • 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+P312+P330
  • P305+P351+P338+P337+P313
  • P332+P313
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H351 Suspected of causing cancer 怀疑致癌
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
Hazard Codes Xn Xn,Xi
RTECSNL7970000
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S7 Keep container tightly closed 保存在严格密闭容器中;
Risk Statements
  • 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
  • R22 Harmful if swallowed 吞咽有害
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
UN Number 2811
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 58,11,1978

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

  • Acros Organics:5-硝基靛红 5-Nitroisatin, 97%(611-09-6)
  • 5-硝基靛红价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0572 5-硝基靛红 5-Nitroisatin 5G 357元 2014/06/02 N0572 5-硝基靛红 5-Nitroisatin 25G 1200元 2010/06/21 128720250 5-硝基靛红 5-Nitroisatin 97% 25 GR 1225元
  • MOL 文件:611-09-6.mol
  • 图谱信息:5-硝基靛红(611-09-6)红外图谱(IR2) 5-硝基靛红(611-09-6)红外图谱(IR1) 5-硝基靛红(611-09-6)质谱(MS) 5-硝基靛红(611-09-6)核磁图( 13 CNMR) 5-硝基靛红(611-09-6)核磁图( 1 HNMR)
  • MSDS 信息:5-Nitroisatin(611-09-6).msds
  • Sigma Aldrich:611-09-6(sigmaaldrich)
  • 5-Nitroisatin is a useful reactant for the synthesis of antibacterial, antifungal, antimycobacterial, antimicrobial, ans antitubercular agents. 5-Nitroisatin is also used to synthesize spiro[indole-thiazolidinones], anticonvulsant agents, human transglutaminase 2 inhibitors, anthelmic agents, acetylcholinesterase inhibitors, and anti-HIV agents.
  • Alfa Aesar:5-硝基靛红,98% 5-Nitroisatin, 98%(611-09-6)
  • TCI Shanghai:5-硝基靛红 5-Nitroisatin,>;98.0%(LC)(T)(611-09-6)

系列性分类


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