2-(chloromethyl)-5-methyl-1,3-benzoxazole

CAS 41014-44-2 MFCD07366537

化学结构图

41014-44-2
SMILES: CC1C=C2N=C(CCl)OC2=CC=1

化学属性

Mol. FormulaC9H8ClNO
Mol. Weight181.62
Melting PointBP: 100 @ 0.1 mBar

别名和识别编码

Chemical Name2-(chloromethyl)-5-methyl-1,3-benzoxazole
CAS Number41014-44-2
Alfabeta NameCHLOROMETHYLMETHYLBENZOXAZOLE 2513()-----,
MDL NumberMFCD07366537
Synonym
PubChem Substance ID329790472
Chemical Name Translation
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分类

  • Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, New Products for Chemical Synthesis, Oxazoles
  • {KO} ReacChlorides
  • {SNA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Oxazoles

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P301+P312+P330
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害

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 Acceptors
2
Rotatable Bonds
1
H-bond Donors
0
LogP
2

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. Oxazoles - Halogenated Heterocycles
  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. Benzoxazole 苯并恶唑

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