2-Methyl-3-Nitropyridine 2-甲基-3-硝基吡啶

CAS 18699-87-1 MFCD04114137

化学结构图

18699-87-1
SMILES: CC1=NC=CC=C1[N+]([O-])=O

化学属性

Mol. FormulaC6H6N2O2
Mol. Weight138.13
Melting Point32-33°
Boiling Point86°C/5mmHg(lit.)

别名和识别编码

Chemical Name2-Methyl-3-Nitropyridine
CAS Number18699-87-1
Alfabeta NameMETHYLNITROPYRIDINE 23---
MDL NumberMFCD04114137
Synonym 2-Methyl-3-nitro-pyridine 2-甲基-3-硝基吡啶
Chemical Name Translation2-甲基-3-硝基吡啶
LabNetwork Molecule IDLN00009446
Reaxys-RN118735
PubChem Substance ID354333155
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {KO} Nitros

相关文献及参考

  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P337+P313
Storage condition 0-10°C

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
0
H-bond Donors
0
LogP
1

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. Pyridines 吡啶

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