3-Phenyl-2,1-benzisoxazole-5-carbaldehyde

CAS N/A MFCD00623237

化学结构图

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

化学属性

Mol. FormulaC14H9NO2
Mol. Weight223.23
Melting Point158-160°

别名和识别编码

Chemical Name3-phenyl-2,1-benzisoxazole-5-carbaldehyde
Alfabeta NamePHENYLBENZISOXAZOLECARBALDEHYDE 3215-----,
MDL NumberMFCD00623237
Synonym 3-phenyl-2,1-benzisoxazole-5-carbaldehyde
PubChem Substance ID329791093
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分类

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

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。
  • P305+P351+P338
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
  • H319 Causes serious eye irritation 严重刺激眼睛

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
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

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