4-amino-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol 4-氨基-5-[(4-氯苯氧基)甲基]-4H-1,2,4-三唑-3-硫醇

CAS 4413-43-8 MFCD00128286

化学结构图

4413-43-8
SMILES: Nn1c(COc2ccc(Cl)cc2)n[nH]c1=S

化学属性

Mol. FormulaC9H9ClN4OS
Mol. Weight256.71

别名和识别编码

Chemical Name4-Amino-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
CAS Number4413-43-8
Alfabeta NameAMINOCHLOROPHENOXYMETHYLTRIAZOLETHIOL H45441243[]()---------,,
MDL NumberMFCD00128286
Synonym 4-Amino-5-(4-chlorophenoxymethyl)-4h-1,2,4-triazole-3-thiol {LY} 4-Amino-5-(4-chlorophenoxymethyl)-4h-1,2,4-triazole-3-thiol {} {LY} 4-Amino-5-(4-chlorophenoxymethyl)-4h-1,2,4-triazole-3-thiol {} {} {LY} 4-Amino-5-(4-chlorophenoxymethyl)-4h-1,2,4-triazole-3-thiol {} {} {} {LY} 4-Amino-5-(4-chlorophenoxymethyl)-4h-1,2,4-triazole-3-thiol {} {} {} {} {LY} 4-Amino-5-(4-chlorophenoxymethyl)-4h-1,2,4-triazole-3-thiol {} {} {} {} {} {LY} 4-Amino-5-(4-chlorophenoxymethyl)-4h-1,2,4-triazole-3-thiol {} {} {} {} {} {} {LY} 4-Amino-5-(4-chlorophenoxymethyl)-4h-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {LY} 4-Amino-5-(4-chlorophenoxymethyl)-4h-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {LY} 4-Amino-5-(4-chlorophenoxymethyl)-4h-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {} {LY} 4-Amino-5-(4-chlorophenoxymethyl)-4h-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {} {} {LY} 4-Amino-5-(4-chlorophenoxymethyl)-4h-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-A
Beilstein Registry Number0801797
InChIKeyVKXMIAZOMPVHIM-UHFFFAOYSA-N
Chemical Name Translation4-氨基-5-[(4-氯苯氧基)甲基]-4H-1,2,4-三唑-3-硫醇
LabNetwork Molecule IDLN00176959
PubChem Substance ID2546244
InChIInChI=1S/C9H9ClN4OS/c10-6-1-3-7(4-2-6)15-5-8-12-13-9(16)14(8)11/h1-4H,5,11H2,(H,13,16)
Canonical SMILESC1=C(C=CC(=C1)OCC2=NN=C(N2N)S)Cl
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安全信息

Warnings IRRITANT
RTECSXZ5358470 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   INDRBA Indian Drugs.  (Indian Drugs Manufacturers' Assoc., 102B, Poonam
   Chambers, Dr. A. B. Rd., Worli, Bombay 400 018, India)  V.1-    1963-
   Volume(issue)/page/year: 25,257,1988

Storage condition

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. 1,2,4-Triazole 1,2,4-三唑

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