Cas no 175276-98-9 (Methyl 4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate)

Methyl 4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate is a brominated pyrazole derivative with significant utility in organic synthesis and pharmaceutical research. Its key advantages include a stable ester functionality and a reactive bromine substituent, making it a versatile intermediate for further functionalization, such as cross-coupling reactions or nucleophilic substitutions. The ethyl and methyl groups enhance steric and electronic properties, facilitating selective modifications. This compound is particularly valuable in the development of agrochemicals, bioactive molecules, and heterocyclic frameworks. Its well-defined structure and high purity ensure reproducibility in synthetic applications, making it a reliable building block for advanced chemical synthesis.
Methyl 4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate structure
175276-98-9 structure
Product Name:Methyl 4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate
CAS No:175276-98-9
MF:C8H11BrN2O2
MW:247.089141130447
MDL:MFCD00173775
CID:133858
PubChem ID:44119087
Update Time:2025-05-28

Methyl 4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate
    • 1H-Pyrazole-5-carboxylicacid, 4-bromo-1-ethyl-3-methyl-, methyl ester
    • methyl 4-bromo-2-ethyl-5-methylpyrazole-3-carboxylate
    • METHYL 4-BROMO-1-ETHYL-3-METHYLPYRAZOLE-5-CARBOXYLATE
    • 175276-98-9
    • SY101537
    • MFCD00173775
    • PS-4657
    • SCHEMBL841946
    • AKOS015908874
    • FT-0643694
    • 1H-Pyrazole-5-carboxylicacid,4-bromo-1-ethyl-3-methyl-,methyl ester
    • DTXSID20657030
    • 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-ethyl-3-methyl-, methyl ester
    • F16314
    • DB-044176
    • MDL： MFCD00173775
    • Inchi： 1S/C8H11BrN2O2/c1-4-11-7(8(12)13-3)6(9)5(2)10-11/h4H2,1-3H3
    • InChI Key： RGVRHHCTCUKRLZ-UHFFFAOYSA-N
    • SMILES： BrC1C(C)=NN(CC)C=1C(=O)OC

Computed Properties

  • Exact Mass: 246.00000
  • Monoisotopic Mass: 246
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 201
  • 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
  • Topological Polar Surface Area: 44.1A^2
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.52
  • Boiling Point: 306.5°Cat760mmHg
  • Flash Point: 139.2°C
  • Refractive Index: 1.569
  • PSA: 44.12000
  • LogP: 1.76050

Methyl 4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate Security Information

  • Hazard Statement： Irritant
  • Hazardous Material Identification： Xi

Methyl 4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate Customs Data

  • HS CODE：2933199090
  • Customs Data：

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Methyl 4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate Pricemore >>

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