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CAS Number: 93703-24-3
8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione

Structure

 8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione
Name: 8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione
Synonyms:
General Information
Product Number: 93703243

CAS Registry Number 93703-24-3
Name:
1H-?Purine-?2,?6-?dione, 8-?bromo-?3,?9-?dihydro-?3-?methyl-
1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl- (9CI)
3-Methyl-8-bromoxanthine
8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione
8-Bromo-3-methyl-3,7-dihydropurine-2,6-dione
8-Bromo-3-methylxanthine

 

Chemical Formula: C6H5BrN4O2
Exact Mass: 243.96
Molecular Weight: 245.03
m/z: 243.96 (100.0%), 245.96 (97.8%), 244.96 (8.0%), 246.96 (6.5%), 246.95 (1.4%)

 

InChI:InChI=1S/C6H5BrN4O2/c1-11-3-2(8-5(7)9-3)4(12)10-6(11)13/h1H3,(H,8,9)(H,10,12,13)

InChI Key:QTEQVEJOXGBDGI-UHFFFAOYSA-N

Canonical SMILES:CN1C2=C(C(=O)NC1=O)NC(=N2)Br

 

Thermal Properties Value Condition Note
Melting Point >330 °C (decomp)   (2)IC
Melting Point >320 °C   (3)IC

Specification

98%
References
  1. (2) Romanenko, N. I.; Izvestiya Vysshikh Uchebnykh Zavedenii, Khimiya i Khimicheskaya Tekhnologiya 1985, V28(8), P32-5 CAPLUS
  2. (3) Priimenko, B. A.; Ukrainskii Khimicheskii Zhurnal (Russian Edition) 1985, V51(6), P660-3 CAPLUS
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