2-Methyl-5-Nitro-2H-Indazole 2-甲基-5-硝基-2H-吲唑

CAS 5228-48-8 MFCD00051809

化学结构图

5228-48-8
SMILES: Cn1cc2cc([N+](=O)[O-])ccc2n1

化学属性

Mol. FormulaC8H7N3O2
Mol. Weight177.16
Melting Point161-163°C
TSCANo
Boiling Point364.5°C at 760 mmHg

别名和识别编码

Chemical Name2-Methyl-5-Nitro-2H-Indazole
CAS Number5228-48-8
Alfabeta NameMETHYLNITROINDAZOLE H252-----
MDL NumberMFCD00051809
Synonym 2-Methyl-5-nitro-2H-indazole {LY} 2-Methyl-5-nitro-2H-indazole {} {LY} 2-Methyl-5-nitro-2H-indazole {} {} {LY} 2-Methyl-5-nitro-2H-indazole {} {} {} {LY} 2-Methyl-5-nitro-2H-indazole {} {} {} {} {LY} 2-Methyl-5-nitro-2H-indazole {} {} {} {} {} {LY} 2-Methyl-5-nitro-2H-indazole {} {} {} {} {} {} {LY} 2-Methyl-5-nitro-2H-indazole {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitro-2H-indazole {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitro-2H-indazole {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitro-2H-indazole {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitro-2H-indazole {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitro-2H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitro-2H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitro-2H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-5-nitro-2H-indazole {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number167044
Chemical Name Translation2-甲基-5-硝基-2H-吲唑
InChIKeyIWPBWVZEOVCZRX-UHFFFAOYSA-N
LabNetwork Molecule IDLN00145794
Canonical SMILESCN1C=C2C=C(C=CC2=N1)[N+]([O-])=O
PubChem Substance ID97550
InChIInChI=1S/C8H7N3O2/c1-10-5-6-4-7(11(12)13)2-3-8(6)9-10/h2-5H,1H3
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment
  • {KO} Nitros

相关文献及参考

  • 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 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), and carbon-13 (subvol. D) 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 CO-ROM's.

安全信息

Warnings IRRITANT
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard statements
  • 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
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

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

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