4-Nitropyridine N-oxide 4-硝基吡啶-N-氧化物

CAS 1124-33-0 MFCD00006206

化学结构图

1124-33-0
SMILES: O=[N+]([O-])c1cc[n+]([O-])cc1

化学属性

Mol. FormulaC5H4N2O3
Mol. Weight140.1
Density1.422
Melting Point159-162
TSCAYes
Solubility不溶
Appearance 黄色片状晶体

别名和识别编码

Chemical Name4-Nitropyridine N-oxide
CAS Number1124-33-0
Synonym 4-NITRO-N-OXOPYRIDINE 4-NITROPYRIDINE 1-OXIDE 4-NITROPYRIDINE N-OXIDE 4-NITROPYRIDINE-N-0XIDE 97% 4-Nitro-1-oxidopyridin-1-ium 4-Nitro-N-oxopyridine 4-Nitro-pyridine 1-oxide 4-Nitropyridin-1-oxid 4-Nitropyridin-N-oxid 4-Nitropyridin-l-oxid 4-Nitropyridine 1-Oxide 4-Nitropyridine 1-oxide 4-Nitropyridine N-Oxide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number214-395-4
Beilstein Registry Number124331
MDL NumberMFCD00006206
PubChem Substance ID14300
Reaxys-RN124331
Chemical Name Translation4-硝基吡啶-N-氧化物
Wiswesser Line NotationT6NJ AO DNW
LabNetwork Molecule IDLN00110948
InChIInChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
Canonical SMILESO=[N+](C1=CC=[N+]([O-])C=C1)[O-]
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分类

  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • {uni_hamburg} no charge; nitrogen heterocycle; 6RingOnly; 6ring; 1fragment
  • Aromatics
  • {SNA} Building Blocks, C5, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • Heteorcycles

产品应用

  • The N-oxide derivative of a nitrated pyridine that has been shown to inhibit Na,K-ATPase activity. 4-Nitropyridine N-Oxide is a quorum sensing inhibitor.

相关文献及参考

  • Andreev, V.P. et al.: Pharmac. Chem. J., 40, 347 (2006); Rasch, M. et al.: J. Appl. Microbiol., 102, 826 (2007):
  • Short: II/25D Title: Structure Data of Free Polyatomic Molecules: Molecules Containing Five or More Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25D Year: 2003 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-42860-7 ISBN: 978-3-540-42860-2 Internet Resource: DOI:10.1007/b75952 RefComment: VIII, 569 pages. Hardcover RefComment: Written for scientists and researchers in the fields of chemistry and physics Abstract: This fourth subvolume presents data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc) of free polyatomic molecules including free radicals and molecular ions. The survey on structure data consists of four subvolumes, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this fourth subvolume, the structure of molecules containing five to sixty carbon atoms is listed.
  • 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 compila

安全信息

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；
  • 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）；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • 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
  • R25 Toxic if swallowed 吞咽有毒
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
Precautionary statements
  • 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
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P301+P310
  • P405 Store locked up. 上锁保管。
  • 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。
  • P305+P351+P338+P337+P313
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSUT6380000
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Packing GroupIII
UN Number UN 2811 6.1/PG 3
Hazard Codes T
Hazard Class6.1 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 960 mg/kg/15W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   GANNA2 Gann.  Japanese Journal of Cancer Research.  (Tokyo, Japan)  V.1-75,
   1907-84.  For publisher information, see JJCREP.  Volume(issue)/page/year:
   70,799,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 3916 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JWMAA9 Journal of Wildlife Management.  (Wildlife Soc., 5410 Grosvenor Lane,
   Bethesda, MD 20814) V.1-    1937-  Volume(issue)/page/year: 29

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent -

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - wild bird species
DOSE/DURATION           : 8 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JWMAA9 Journal of Wildlife Management.  (Wildlife Soc., 5410 Grosvenor Lane,
   Bethesda, MD 20814) V.1-    1937-  Volume(issue)/page/year: 29,830,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - pig
DOSE/DURATION           : 7208 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JWMAA9 Journal of Wildlife Management.  (Wildlife Soc., 5410 Grosvenor Lane,
   Bethesda, MD 20814) V.1-    1937-  Volume(issue)/page/year: 29,830,1965

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 360 mg/kg
TOXIC EFFECTS :
   Behavioral - coma
   Lungs, Thorax, or Respiration - dyspnea
   Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
   34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York,
   Academic Press, Inc., 1969  Volume(issue)/page/year: -,430,1969

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 500 ug/well
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   32,2369,1972

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - mouse Fibroblast
DOSE/DURATION           : 50 umol/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   35,521,1975

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 25 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 58,371,1978

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 500 umol/L
REFERENCE :
   GANNA2 Gann.  Japanese Journal of Cancer Research.  (Tokyo, Japan)  V.1-75,
   1907-84.  For publisher information, see JJCREP.  Volume(issue)/page/year:
   70,799,1979

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - hamster Cells - not otherwise specified
DOSE/DURATION           : 50 umol/L
REFERENCE :
   NATUAS Nature.  (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
   V.1-    1869-  Volume(issue)/page/year: 229,416,1971

Storage condition +4°C -20°C 4℃

其他信息

  • 图谱信息:4-硝基吡啶-N-氧化物(1124-33-0)红外图谱(IR1) 4-硝基吡啶-N-氧化物(1124-33-0)红外图谱(IR2) 4-硝基吡啶-N-氧化物(1124-33-0)质谱(MS)
  • 4-硝基吡啶-N-氧化物价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0410 4-硝基吡啶N-氧化物 4-Nitropyridine N-Oxide 25G 409元 2010/06/21 128920250 4-硝基吡啶-N-氧化物 4-Nitropyridine N-oxide 25 GR 601元 2010/06/21 128920050 4-硝基吡啶-N-氧化物 4-Nitropyridine N-oxide 5 GR 212元
  • Sigma Aldrich:1124-33-0(sigmaaldrich)
  • MOL 文件:1124-33-0.mol
  • 下游产品:4-苄氧基吡啶 N-氧化物
  • Acros Organics:4-硝基吡啶N-氧化物 4-Nitropyridine N-oxide(1124-33-0)
  • 海关编码:29333999
  • Alfa Aesar:4-硝基氮氧化吡啶,97% 4-Nitropyridine N-oxide, 97%(1124-33-0)
  • MSDS 信息:4-Nitropyridine N-oxide(1124-33-0).msds
  • TCI Shanghai:4-硝基吡啶 N-氧化物 4-Nitropyridine N-Oxide,>;98.0%(T)(1124-33-0)

系列性分类

  1. C8 to C9 - Pyridines
  1. Functional Group 官能团索引
  2. N-oxide
  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. Pyridines 吡啶

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