4-(1,3-Oxazol-5-Yl)Aniline 4-(5-噁唑基)苯胺

CAS 1008-95-3 MFCD00052192

化学结构图

1008-95-3
SMILES: Nc1ccc(-c2cnco2)cc1

化学属性

Mol. FormulaC9H8N2O
Mol. Weight160.17
Melting Point148°C
Boiling Point318.7°C at 760 mmHg

别名和识别编码

Chemical Name4-(1,3-Oxazol-5-Yl)Aniline
CAS Number1008-95-3
Alfabeta NameOXAZOLYLANILINE 4135()----,
MDL NumberMFCD00052192
Synonym 4-(1,3-Oxazol-5-yl)aniline {LY} 4-(1,3-Oxazol-5-yl)aniline {} {LY} 4-(1,3-Oxazol-5-yl)aniline {} {} {LY} 4-(1,3-Oxazol-5-yl)aniline {} {} {} {LY} 4-(1,3-Oxazol-5-yl)aniline {} {} {} {} {LY} 4-(1,3-Oxazol-5-yl)aniline {} {} {} {} {} {LY} 4-(1,3-Oxazol-5-yl)aniline {} {} {} {} {} {} {LY} 4-(1,3-Oxazol-5-yl)aniline {} {} {} {} {} {} {} {LY} 4-(1,3-Oxazol-5-yl)aniline {} {} {} {} {} {} {} {} {LY} 4-(1,3-Oxazol-5-yl)aniline {} {} {} {} {} {} {} {} {} {LY} 4-(1,3-Oxazol-5-yl)aniline {} {} {} {} {} {} {} {} {} {} {LY} 4-(1,3-Oxazol-5-yl)aniline {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(1,3-Oxazol-5-yl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(1,3-Oxazol-5-yl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(1,3-Oxazol-5-yl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(1,3-Oxazol-5-yl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(1,3-Oxazol-5-yl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(1,3-Oxazol-5-yl)anili
Chemical Name Translation4-(5-噁唑基)苯胺
PubChem Substance ID517747
LabNetwork Molecule IDLN00146164
InChIInChI=1S/C9H8N2O/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,10H2
Canonical SMILESNC1=CC=C(C2=CN=CO2)C=C1
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分类

  • {KO} Anilines
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Oxazoles

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P301+P310
  • P305+P351+P338
Signal word Danger
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H301 Toxic if swallowed 吞食有毒
Hazard Codes Xn
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R22 Harmful if swallowed 吞咽有害
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
1
LogP
1

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. Oxazoles 恶唑

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