3-Bromo-1H-pyrazolo[3,4-d]pyrimidine

Base Information

• Chemical Name: 3-Bromo-1H-pyrazolo[3,4-d]pyrimidine
• CAS No.: 1251033-27-8
• Molecular Formula: C5H3BrN4
• Molecular Weight: 199.0081
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20705388
• Wikidata: Q82638236
• Mol file: 1251033-27-8.mol

Synonyms:3-Bromo-1H-pyrazolo[3,4-d]pyrimidine;1251033-27-8;3-bromo-2H-pyrazolo[3,4-d]pyrimidine;MFCD13193631;SCHEMBL5246712;SCHEMBL23199596;DTXSID20705388;3-bromo-pyrazolo[3,4-d]pyrimidine;AMY15862;AKOS015836082;AB70431;CS-W000599;FS-3001;SY112657;1H-Pyrazolo[3,4-d]pyrimidine, 3-bromo-;A890278;J-511805

Chemical Property of 3-Bromo-1H-pyrazolo[3,4-d]pyrimidine

Chemical Property:

• Boiling Point: 373.121 °C at 760 mmHg
• PKA: 5.38±0.50(Predicted)
• Flash Point: 179.458 °C
• PSA: 54.46000
• Density: 2.036 g/cm³
• LogP: 1.11540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 197.95411
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Bromo-1h-pyrazolo[3,4-d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC=NC2=NNC(=C21)Br