4-Nitro-1H-1,2,3-Benzotriazole 4-硝基-1H-1,2,3-苯并三唑

CAS 6299-39-4 MFCD00160033

化学结构图

6299-39-4
SMILES: [O-][N+](=O)c1cccc2[nH][n][n]c12

化学属性

Mol. FormulaC6H4N4O2
Mol. Weight164.12
Melting Point163-173 °C
Boiling Point392.7°C at 760 mmHg

别名和识别编码

Chemical Name4-Nitro-1H-1,2,3-Benzotriazole
CAS Number6299-39-4
Alfabeta NameNITROBENZOTRIAZOLE H41123----,,
MDL NumberMFCD00160033
Chemical Name Translation4-硝基-1H-1,2,3-苯并三唑
InChIKeyUTMDJGPRCLQPBT-UHFFFAOYSA-N
LabNetwork Molecule IDLN00147619
Synonym 4-Nitro-1H-1,2,3-benzotriazole {LY} 4-Nitro-1H-1,2,3-benzotriazole {} {LY} 4-Nitro-1H-1,2,3-benzotriazole {} {} {LY} 4-Nitro-1H-1,2,3-benzotriazole {} {} {} {LY} 4-Nitro-1H-1,2,3-benzotriazole {} {} {} {} {LY} 4-Nitro-1H-1,2,3-benzotriazole {} {} {} {} {} {LY} 4-Nitro-1H-1,2,3-benzotriazole {} {} {} {} {} {} {LY} 4-Nitro-1H-1,2,3-benzotriazole {} {} {} {} {} {} {} {LY} 4-Nitro-1H-1,2,3-benzotriazole {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-1,2,3-benzotriazole {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-1,2,3-benzotriazole {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-1,2,3-benzotriazole {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-1,2,3-benzotriazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-1,2,3-benzotriazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-1,2,3-benzotriazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-1,2,3-benzotriazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY
Canonical SMILES[O-][N+](C1=CC=CC2=C1N=NN2)=O
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分类

  • {KO} Nitros
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
4
Rotatable Bonds
0
LogP
1

系列性分类

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