1-Nitropyrazole 1-硝基吡唑

CAS 7119-95-1 MFCD00015894

化学结构图

7119-95-1
SMILES: O=[N+]([O-])n1cccn1

化学属性

Mol. FormulaC3H3N3O2
Mol. Weight113.07
Melting Point92-94°C
Boiling Point269 °C at 760 mmHg

别名和识别编码

Chemical Name1-Nitropyrazole
Alfabeta NameNITROPYRAZOLE H11---
MDL NumberMFCD00015894
Synonym 1-Nitropyrazole {LY} 1-Nitropyrazole {} {LY} 1-Nitropyrazole {} {} {LY} 1-Nitropyrazole {} {} {} {LY} 1-Nitropyrazole {} {} {} {} {LY} 1-Nitropyrazole {} {} {} {} {} {LY} 1-Nitropyrazole {} {} {} {} {} {} {LY} 1-Nitropyrazole {} {} {} {} {} {} {} {LY} 1-Nitropyrazole {} {} {} {} {} {} {} {} {LY} 1-Nitropyrazole {} {} {} {} {} {} {} {} {} {LY} 1-Nitropyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitropyrazole {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitropyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitropyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitropyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitropyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitropyrazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
PubChem Substance ID146002
CAS Number7119-95-1
Chemical Name Translation1-硝基吡唑
LabNetwork Molecule IDLN00144743
InChIKeyTYNVOQYGXDUHRX-UHFFFAOYSA-N
Reaxys-RN111934
InChIInChI=1S/C3H3N3O2/c7-6(8)5-3-1-2-4-5/h1-3H
Canonical SMILES[O-][N+](N1C=CC=N1)=O
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 5ring; 1fragment
  • {SNA} Building Blocks, C3 to C5, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles

相关文献及参考

  • Short: II/24B Title: Molecular Constants mostly from Microwave, Molecular Beam, and Sub-Doppler Laser Spectroscopy: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/24B Year: 2000 Keyword: Diamagnetics Diatomics; Linear Symmetric Rotors; Molecular Constants; Molecules ISBN: 3-540-65345-7 ISBN: 978-3-540-65345-5 Internet Resource: DOI:10.1007/b58835 RefComment: VIII, 525 pages. Hardcover Abstract: Volume II/24 presents the spectroscopic data on diamagnetic and paramagnetic molecules as well as on molecular ions and radicals up to date considering the publications up to and partly including 1997. The spectroscopic information collected in this volume has been obtained principally from gas phase microwave measurements. Volume II/24 is a supplement to volumes II/4, II/6, II/14, and II/19 and is planned to appear in five subvolumes, the last of which will contain the substance index taking into account all molecules worked at since 1967 in the volumes mentioned and will provide cross references to and between all tables of these. The present subvolume II/24B contains an introduction and tables of rotational and centrifugal distortion constants of asymmetric-top molecules, i.e. data which roughly specifies the frequencies of the rotational transitions of these types of rotors.
  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
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。
  • 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.....
  • P305+P351+P338+P337+P313
  • P301+P312+P330
  • 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。
  • 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
  • P302+P352+P332+P313+P362+P364
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Hazard Codes Xn
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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；
  • S22 Do not breathe dust 不要吸入粉尘；
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
  • R22 Harmful if swallowed 吞咽有害
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

  • MOL 文件:7119-95-1.mol

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. Pyrazoles 吡唑
  5. C3 to C5 - Pyrazoles
  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. Pyrazoles 吡唑

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