3-Bromo-4-Chloro-1H-Pyrazolo[3,4-d]Pyrimidine 3-溴-4-氯-1H-吡唑并嘧啶

CAS 90914-41-3 MFCD08276165

化学结构图

90914-41-3
SMILES: ClC1=NC=NC2NN=C(Br)C=21

化学属性

Mol. FormulaC5H2BrClN4
Mol. Weight233
Melting Point181 - 183 (°C)
Density
Boiling Point

别名和识别编码

Chemical Name3-Bromo-4-Chloro-1H-Pyrazolo[3,4-d]Pyrimidine
CAS Number90914-41-3
Alfabeta NameBROMOCHLOROPYRAZOLOPYRIMIDINE HD34134[]------,
MDL NumberMFCD08276165
Chemical Name Translation3-溴-4-氯-1H-吡唑并嘧啶
Synonym
EC Number
Beilstein Registry Number
PubChem Substance ID329781968
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分类

  • {KO} ReacChlorides
  • {KO} AminesSecondaryHeteroNH
  • {KO} ReacBromides
  • Building Blocks, C4 to C5, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, New Products for Chemical Synthesis, Pyrimidines
  • {SNA} Building Blocks, C4 to C5, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks,

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P301 IF SWALLOWED: 如果吞下去
Signal word Danger
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
UN Number
RTECS
Packing Group
Hazard statements
  • H301 Toxic if swallowed 吞食有毒

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 Donors
1
H-bond Acceptors
3
Rotatable Bonds
0
LogP
2

系列性分类


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