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Home >> Chemical Listing >> Page 55 >> 8-Bromo-1,3,7-Trimethylpurine-2,6-Dione

8-Bromo-1,3,7-Trimethylpurine-2,6-Dione
[CAS# 10381-82-5]

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Identification
Name 8-Bromo-1,3,7-Trimethylpurine-2,6-Dione
Synonyms 8-Bromo-1,3,7-Trimethyl-Purine-2,6-Dione; 8-Bromo-1,3,7-Trimethyl-Xanthine; 8-Bromocaffeine
Molecular Structure CAS#: 10381-82-5, 8-Bromo-1,3,7-Trimethylpurine-2,6-Dione
Molecular Formula C8H9BrN4O2
Molecular Weight 273.09
CAS Registry Number 10381-82-5
SMILES CN1C2=C(C(N(C)C1=O)=O)[N](C)C(=N2)Br
InChI 1S/C8H9BrN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3
InChIKey YRLRORFORQUTKS-UHFFFAOYSA-N
Properties
Density 1.9±0.1g/cm3 (Cal.)
Boiling point 440.1±55.0°C at 760 mmHg (Cal.)
Flash point 220.0±31.5°C (Cal.)
Safety Data
SDS Available
Market Analysis Reports
List of Reports Available for 8-Bromo-1,3,7-Trimethylpurine-2,6-Dione
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