3-Chloro-5-Nitro-1H-Indazole 3-氯-5-硝基-1H-吲唑

CAS 4812-45-7 MFCD00005692

化学结构图

4812-45-7
SMILES: O=[N+]([O-])c1ccc2[nH]nc(Cl)c2c1

化学属性

Mol. FormulaC7H4ClN3O2
Mol. Weight197.58
Melting Point218-220 °C
Density1.422
Boiling Point234.7°C at 760 mmHg

别名和识别编码

Chemical Name3-Chloro-5-Nitro-1H-Indazole
CAS Number4812-45-7
Alfabeta NameCHLORONITROINDAZOLE H351-----
MDL NumberMFCD00005692
EC Number250-023-7
Beilstein Registry Number0013635
Chemical Name Translation3-氯-5-硝基-1H-吲唑
InChIKeyUOWPRWCAMGTPHI-UHFFFAOYSA-N
Synonym 3-Chloro-5-nitro-1H-indazole {LY} 3-Chloro-5-nitro-1H-indazole {} {LY} 3-Chloro-5-nitro-1H-indazole {} {} {LY} 3-Chloro-5-nitro-1H-indazole {} {} {} {LY} 3-Chloro-5-nitro-1H-indazole {} {} {} {} {LY} 3-Chloro-5-nitro-1H-indazole {} {} {} {} {} {LY} 3-Chloro-5-nitro-1H-indazole {} {} {} {} {} {} {LY} 3-Chloro-5-nitro-1H-indazole {} {} {} {} {} {} {} {LY} 3-Chloro-5-nitro-1H-indazole {} {} {} {} {} {} {} {} {LY} 3-Chloro-5-nitro-1H-indazole {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-5-nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-5-nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-5-nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-5-nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-5-nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-5-nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-5-nitro-1H-indazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
LabNetwork Molecule IDLN00150580
PubChem Substance ID78534
InChIInChI=1S/C7H4ClN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)
Canonical SMILES[O-][N+](=O)C1=CC=C2NN=C(Cl)C2=C1
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分类

  • {KO} Nitros
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
Safety Statements
Risk Statements
Precautionary statements
RTECSNK7899000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1550 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APFRAD Annales Pharmaceutiques Francaises.  (SPPIF, B.P.22, F-41353 Vineuil,
   France)  V.1-    1943-  Volume(issue)/page/year: 42,379,1984

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

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
3
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. Indazoles 吲唑

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