5-(Chloromethyl)-3-(4-chlorophenyl)isoxazole 5-(氯甲基)-3-(4-氯苯基)异恶唑

CAS 5301-02-0 MFCD01935947

化学结构图

5301-02-0
SMILES: ClC1C=CC(=CC=1)C1C=C(CCl)ON=1

化学属性

Mol. FormulaC10H7Cl2NO
Mol. Weight228.07
Melting Point103-105°

别名和识别编码

Chemical Name5-(Chloromethyl)-3-(4-chlorophenyl)isoxazole
CAS Number5301-02-0
Alfabeta NameCHLOROMETHYLCHLOROPHENYLISOXAZOLE 534(())----
MDL NumberMFCD01935947
Synonym 5-(chloromethyl)-3-(4-chlorophenyl)isoxazole
Chemical Name Translation5-(氯甲基)-3-(4-氯苯基)异恶唑
LabNetwork Molecule IDLN00148179
PubChem Substance ID329790589
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分类

  • {KO} ReacChlorides
  • {SNA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Isoxazoles

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P301+P310
Signal word Danger
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
2
H-bond Donors
0
LogP
3

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. Isoxazoles - Halogenated Heterocycles

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