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CAS Number: 15018-56-1
5-bromo-6-methylpyrimidine-2,4(1H,3H)-dione

Structure

5-bromo-6-methylpyrimidine-2,4(1H,3H)-dione
Name: 5-bromo-6-methylpyrimidine-2,4(1H,3H)-dione
Synonyms:
General Information
Product Number: 15018561

CAS Registry Number 15018-56-1
Name:
2,?4(1H,?3H)?-?Pyrimidinedione, 5-?bromo-?6-?methyl-
Uracil, 5-bromo-6-methyl- (7CI,8CI)
5-Bromo-6-methyl-2,4(1H,3H)-pyrimidinedione
5-Bromo-6-methyluracil
NSC 53064

 

Chemical Formula: C5H5BrN2O2
Exact Mass: 203.95
Molecular Weight: 205.01
m/z: 203.95 (100.0%), 205.95 (97.3%), 206.95 (6.0%), 204.96 (5.5%)

 

InChI:InChI=1S/C5H5BrN2O2/c1-2-3(6)4(9)8-5(10)7-2/h1H3,(H2,7,8,9,10)

InChI Key:HEAXNUZNYDEXFG-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C(=O)NC(=O)N1)Br

 

Thermal Properties Value Condition Note
Melting Point 260 °C (decomp) Solv: water (7732-18-5) (1)ACD
Melting Point 251 °C (decomp) Solv: acetic acid (64-19-7) (7)CAS
Melting Point 247 °C (decomp)   (8)CAS
Melting Point 241-242 °C (decomp)   (9)CAS
Melting Point 240-242 °C (decomp)   (10)CAS
Melting Point 238-240 °C (decomp)   (11)CAS

Specification

98%

References
  1. (1) Bakavoli, M.; Journal of Heterocyclic Chemistry 2006, V43(5), P1327-1329 CAPLUS
  2. (3) Weaver, Donald F.; WO 2002083651 A2 2002 CAPLUS
  3. (6) Cheng, Dong Ping; Journal of Chemical Research, Synopses 2002, (12), P624-625 CAPLUS
  4. (7) Nishiwaki, Tarozaemon; Bulletin of the Chemical Society of Japan 1960, V33, P26-8 CAPLUS
  5. (8) Matsukawa, Taizo; Yakugaku Zasshi 1950, V70, P134-7 CAPLUS
  6. (9) Kurtev, B.; Izvestiya na Khimicheskiya Institut, Bulgarska Akademiya na Naukite 1951, V1, P277-93 CAPLUS
  7. (10) Elderfield, Robert C.; Journal of Organic Chemistry 1960, V25, P1583-90 CAPLUS
  8. (11) Kondrat'eva, G. V.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1966, (7), P1219-23 CAPLUS
  9. (12) Overberger, C. G.; Journal of the American Chemical Society 1954, V76, P1953-4 CAPLUS
  10. (13) Chang, Sae-Hee; Taehan Hwahakhoe Chi 1966, V10(2), P51-3 CAPLUS
  11. (14) Dubicki, Henryk; Journal of Pharmaceutical Sciences 1964, V53(11), P1422-3 CAPLUS
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