Cas no 660408-08-2 (Methyl 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate)

Methyl 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate is a brominated pyrazole derivative with a methyl ester functional group. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and heterocyclic compounds. The bromine substituent at the 4-position enhances reactivity for further functionalization, such as cross-coupling reactions, while the ester group offers flexibility for hydrolysis or transesterification. Its stable, crystalline form ensures ease of handling and storage. The 1,3-dimethyl substitution pattern on the pyrazole ring contributes to steric and electronic tuning, making it valuable for designing bioactive molecules. Suitable for research and industrial applications requiring precise structural modifications.
Methyl 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate structure
660408-08-2 structure
Product Name:Methyl 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
CAS No:660408-08-2
MF:C7H9BrN2O2
MW:233.062560796738
MDL:MFCD19691762
CID:1698064
PubChem ID:56723871
Update Time:2025-10-29

Methyl 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-5-carboxylic acid, 4-bromo-1,3-dimethyl-, methyl ester
    • methyl 4-bromo-2,5-dimethylpyrazole-3-carboxylate
    • AKOS015997348
    • STL237465
    • CS-0314634
    • MFCD19691762
    • methyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
    • BBL033072
    • VS-11784
    • 660408-08-2
    • F83649
    • methyl4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
    • SCHEMBL25759724
    • DTXSID90718228
    • NWCFXOKZBLZXJD-UHFFFAOYSA-N
    • 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid, methyl ester
    • DB-209335
    • Methyl 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
    • MDL： MFCD19691762
    • Inchi： 1S/C7H9BrN2O2/c1-4-5(8)6(7(11)12-3)10(2)9-4/h1-3H3
    • InChI Key： NWCFXOKZBLZXJD-UHFFFAOYSA-N
    • SMILES： BrC1C(C)=NN(C)C=1C(=O)OC

Computed Properties

  • Exact Mass: 231.98477
  • Monoisotopic Mass: 231.98474g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 188
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 293.8±35.0 °C at 760 mmHg
  • Flash Point: 131.5±25.9 °C
  • PSA: 44.12
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

Methyl 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate Security Information

Methyl 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate Pricemore >>

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