3-(4-Chlorophenyl)-2,1-benzisoxazole-5-carbaldehyde

CAS N/A MFCD00663844

化学结构图

N/A
SMILES: O=CC1=CC2=C(ON=C2C=C1)C1C=CC(Cl)=CC=1

化学属性

Mol. FormulaC14H8ClNO2
Mol. Weight257.67
Melting Point194-196°

别名和识别编码

Chemical Name3-(4-chlorophenyl)-2,1-benzisoxazole-5-carbaldehyde
Alfabeta NameCHLOROPHENYLBENZISOXAZOLECARBALDEHYDE 34215()------,
MDL NumberMFCD00663844
Synonym 3-(4-chlorophenyl)-2,1-benzisoxazole-5-carbaldehyde
PubChem Substance ID329791095
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分类

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

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
Signal word Warning
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H302 Harmful if swallowed 吞食有害

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
3
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. Isoxazoles 异恶唑
  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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