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CAS Number: 33549-66-5
4,4-dibromo-3-methyl-1H-pyrazol-5(4H)-one

Structure

4,4-dibromo-3-methyl-1H-pyrazol-5(4H)-one
Name: 4,4-dibromo-3-methyl-1H-pyrazol-5(4H)-one
Synonyms:
General Information
Product Number: 33549665

CAS Registry Number 33549-66-5
Name:
3H-?Pyrazol-?3-?one, 4,?4-?dibromo-?2,?4-?dihydro-?5-?methyl-
2-Pyrazolin-5-one, 4,4-dibromo-3-methyl- (6CI,8CI)
4,4-Dibromo-2,4-dihydro-5-methyl-3H-pyrazol-3-one
4,4-Dibromo-3-methyl-2-pyrazolin-5-one
4,4-Dibromo-3-methyl-5-pyrazolone
4,4-Dibromo-3-methyl-Δ2-pyrazol-5-one

 

Chemical Formula: C4H4Br2N2O
Exact Mass: 253.87
Molecular Weight: 255.90
m/z: 255.87 (100.0%), 253.87 (51.3%), 257.86 (48.6%), 256.87 (4.4%), 254.87 (2.6%), 258.87 (2.2%)

 

InChI:InChI=1S/C4H4Br2N2O/c1-2-4(5,6)3(9)8-7-2/h1H3,(H,8,9)

InChI Key:QQQQLBQGDDSBCA-UHFFFAOYSA-N

Canonical SMILES:CC1=NNC(=O)C1(Br)Br

 

Thermal Properties Value Condition Note
Melting Point 132-133 °C Solv: ligroine (8032-32-4) (1)IC
Melting Point 132 °C   (2)CAS
Melting Point 132 °C   (3)IC
Melting Point 130-132 °C   (4)IC
Melting Point 127 °C   (5)CAS

Specification

98%

References
  1. (1) El-Zohry, Maher F.; Synthesis 1984, (11), P972-4 CAPLUS
  2. (2) Muckermann, Ernst; Journal fuer Praktische Chemie (Leipzig) 1912, V84, P278-92 CAPLUS
  3. (3) Simmross, Frank Michael; Synthesis 1981, (1), P72 CAPLUS
  4. (4) Chukhadzhyan, G. A.; Armyanskii Khimicheskii Zhurnal 1983, V36(9), P564-7 CAPLUS
  5. (5) Singh, Shailendra; European Journal of Pharmaceutical Sciences 2005, V25(2-3), P255-262 CAPLUS
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