5-Chloro-1H-Indazole 5-氯-1H-吲唑

CAS 698-26-0 MFCD00022785

化学结构图

698-26-0
SMILES: Clc1cc2c[n][nH]c2cc1

化学属性

Mol. FormulaC7
Mol. Weight153
Melting Point118-120°

别名和识别编码

Chemical Name5-Chloro-1H-Indazole
CAS Number698-26-0
Alfabeta NameCHLOROINDAZOLE H51---
MDL NumberMFCD00022785
EC Number211-812-1
Synonym 5-Chloroindazole 5-氯-1H-吲唑
Chemical Name Translation5-氯-1H-吲唑
InChIKeyFVNCILPDWNBPLK-UHFFFAOYSA-N
Wiswesser Line NotationT56 BM DNJ GG
Beilstein Registry Number0003260
PubChem Substance ID329782914
LabNetwork Molecule IDLN00156307
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Indazoles
  • Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Indazoles, New Products for Chemical Synthesis

安全信息

Warnings IRRITANT
RTECSNK7890000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#01333

GHS Symbol
WGK Germany3
Signal word Warning
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Hazard statements
  • H302 Harmful if swallowed 吞食有害

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 Donors
1
H-bond Acceptors
1
Rotatable Bonds
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. Halogenated Heterocycles 卤代杂环
  5. Indazoles - Halogenated Heterocycles

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